(E)-N',3-dimethyl-N-pentylpent-2-enimidamide

C12H24N2 — CID 142951324

IUPAC(E)-N',3-dimethyl-N-pentylpent-2-enimidamide
SMILESCCCCCNC(/C=C(\C)CC)=N\C
InChIInChI=1S/C12H24N2/c1-5-7-8-9-14-12(13-4)10-11(3)6-2/h10H,5-9H2,1-4H3,(H,13,14)/b11-10+
InChIKeyVPYWGODCFOHAFP-ZHACJKMWSA-N
MW196.34 g/mol
LogP3.15
Rot. Bonds6

About (E)-N',3-dimethyl-N-pentylpent-2-enimidamide

(E)-N',3-dimethyl-N-pentylpent-2-enimidamide (PubChem CID 142951324) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-N',3-dimethyl-N-pentylpent-2-enimidamide.

Molecular Properties

Compound Name(E)-N',3-dimethyl-N-pentylpent-2-enimidamide
PubChem CID142951324
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-N',3-dimethyl-N-pentylpent-2-enimidamide
SMILESCCCCCNC(/C=C(\C)CC)=N\C
InChIInChI=1S/C12H24N2/c1-5-7-8-9-14-12(13-4)10-11(3)6-2/h10H,5-9H2,1-4H3,(H,13,14)/b11-10+
InChIKeyVPYWGODCFOHAFP-ZHACJKMWSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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'}

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Related Compounds

N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
N-pentyl-2H-pyrrol-5-amine
CID 67916644
(3E,5Z)-N-ethyl-N',3,6,7-tetramethylocta-3,5,7-trienimidamide
CID 89311716
1,2,3,5,6,7-Hexahydro-1,8-naphthyridine
CID 89343384
7-ethyl-2,3,4,8-tetrahydro-1H-pyrido[2,3-b]azepine
CID 91251223
N'-methyl-N-(3-methylhex-3-enyl)propanimidamide
CID 91334191
2-[(5Z,7Z)-2-[(3Z)-penta-1,3-dien-2-yl]-4,9-dihydro-1H-1,3-diazonin-5-yl]prop-2-en-1-amine
CID 118186576
N-[(2R)-6-methylhept-5-en-2-yl]-3,4-dihydro-2H-pyrrol-5-amine
CID 121450918
N-(2,6-dimethylhepta-2,5-dien-4-yl)-3,4-dihydro-2H-pyrrol-5-amine
CID 121451327
N'-methyl-N-[2-(propylamino)ethyl]pent-2-enimidamide
CID 123457161
3-but-1-en-2-yl-N-propan-2-yl-5,6-dihydro-2H-azepin-7-amine
CID 129082407

Frequently Asked Questions

What is the IUPAC name of (E)-N',3-dimethyl-N-pentylpent-2-enimidamide?
The IUPAC name of (E)-N',3-dimethyl-N-pentylpent-2-enimidamide (CID 142951324) is (E)-N',3-dimethyl-N-pentylpent-2-enimidamide.
What is the SMILES notation for (E)-N',3-dimethyl-N-pentylpent-2-enimidamide?
The canonical SMILES for (E)-N',3-dimethyl-N-pentylpent-2-enimidamide is CCCCCNC(/C=C(\C)CC)=N\C.
What is the InChIKey of (E)-N',3-dimethyl-N-pentylpent-2-enimidamide?
The InChIKey is VPYWGODCFOHAFP-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-8-9-14-12(13-4)10-11(3)6-2/h10H,5-9H2,1-4H3,(H,13,14)/b11-10+.
What are the key properties of (E)-N',3-dimethyl-N-pentylpent-2-enimidamide?
(E)-N',3-dimethyl-N-pentylpent-2-enimidamide has a molecular weight of 196.34 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N',3-dimethyl-N-pentylpent-2-enimidamide is sourced from PubChem (CID 142951324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).