N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide

C20H36N4 — CID 123483519

IUPACN-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
SMILESC=C(N/C(CCCC)=N/CCCC1=CCN(C)CC1)/C(=C\C)CN
InChIInChI=1S/C20H36N4/c1-5-7-10-20(23-17(3)19(6-2)16-21)22-13-8-9-18-11-14-24(4)15-12-18/h6,11H,3,5,7-10,12-16,21H2,1-2,4H3,(H,22,23)/b19-6-
InChIKeyGFJXDCUATCRAQD-SWNXQHNESA-N
MW332.54 g/mol
LogP3.63
Rot. Bonds10

About N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide

N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide (PubChem CID 123483519) has the molecular formula C20H36N4 and a molecular weight of 332.54 g/mol. Its IUPAC name is N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide.

Molecular Properties

Compound NameN-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
PubChem CID123483519
Molecular FormulaC20H36N4
Molecular Weight332.54 g/mol
Exact Mass332.29
IUPAC NameN-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide
SMILESC=C(N/C(CCCC)=N/CCCC1=CCN(C)CC1)/C(=C\C)CN
InChIInChI=1S/C20H36N4/c1-5-7-10-20(23-17(3)19(6-2)16-21)22-13-8-9-18-11-14-24(4)15-12-18/h6,11H,3,5,7-10,12-16,21H2,1-2,4H3,(H,22,23)/b19-6-
InChIKeyGFJXDCUATCRAQD-SWNXQHNESA-N
XLogP3.63
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.54
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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CID 145570935
(Z)-2-(1-aminoethenyl)-N'-(aminomethyl)-4-fluoro-N-(2-methylimino-3-prop-1-en-2-yl-3,4-dihydro-1H-pyridin-5-yl)pent-2-enimidamide
CID 173739569
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(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
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CID 132039074
(3S,4E,6Z)-3-(but-1-en-2-ylamino)-N-[(3Z,7Z)-deca-3,7-dien-2-yl]-N',4-dimethylnona-4,6-dienimidamide
CID 134270356
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CID 137532817
N-[4-[[(Z)-3-(7-aminocyclohepta-1,4,6-trien-1-yl)pent-3-enyl]amino]but-2-enyl]-N-ethyl-N'-methylmethanimidamide
CID 138648643

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide?
The IUPAC name of N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide (CID 123483519) is N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide.
What is the SMILES notation for N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide?
The canonical SMILES for N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide is C=C(N/C(CCCC)=N/CCCC1=CCN(C)CC1)/C(=C\C)CN.
What is the InChIKey of N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide?
The InChIKey is GFJXDCUATCRAQD-SWNXQHNESA-N. The full InChI is InChI=1S/C20H36N4/c1-5-7-10-20(23-17(3)19(6-2)16-21)22-13-8-9-18-11-14-24(4)15-12-18/h6,11H,3,5,7-10,12-16,21H2,1-2,4H3,(H,22,23)/b19-6-.
What are the key properties of N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide?
N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide has a molecular weight of 332.54 g/mol, XLogP of 3.63, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-3-(aminomethyl)penta-1,3-dien-2-yl]-N'-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propyl]pentanimidamide is sourced from PubChem (CID 123483519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).