N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide

C15H31N3 — CID 143393865

IUPACN-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide
SMILESCCCCN(CCC)C(C)/C=C\CN/C(C)=N/C
InChIInChI=1S/C15H31N3/c1-6-8-13-18(12-7-2)14(3)10-9-11-17-15(4)16-5/h9-10,14H,6-8,11-13H2,1-5H3,(H,16,17)/b10-9-
InChIKeyLQCSBXPFONLMIY-KTKRTIGZSA-N
MW253.43 g/mol
LogP3.08
Rot. Bonds9

About N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide

N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide (PubChem CID 143393865) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide.

Molecular Properties

Compound NameN-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide
PubChem CID143393865
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide
SMILESCCCCN(CCC)C(C)/C=C\CN/C(C)=N/C
InChIInChI=1S/C15H31N3/c1-6-8-13-18(12-7-2)14(3)10-9-11-17-15(4)16-5/h9-10,14H,6-8,11-13H2,1-5H3,(H,16,17)/b10-9-
InChIKeyLQCSBXPFONLMIY-KTKRTIGZSA-N
XLogP3.08
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N'-[(E)-3-fluoropent-3-en-2-yl]-N-propan-2-ylethanimidamide
CID 138648416
N'-cyclopropyl-N-[(E)-3-fluoropent-3-en-2-yl]ethanimidamide
CID 138649042
N'-cyclopropyl-N-[(E)-3-fluorohex-3-en-2-yl]ethanimidamide
CID 170144427
N,N'-di(propan-2-yl)but-3-enimidamide
CID 134920311
N'-[(E)-4-fluorobut-3-en-2-yl]-N-[(Z)-pent-3-en-2-yl]ethanimidamide
CID 144414903
1-propan-2-yl-N-propyl-2,5-dihydropyridin-6-imine
CID 56605961
N-ethyl-2,5-dihydropyridin-6-amine
CID 56613472
N-methyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56619013
1-methyl-N-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56620050
N-butyl-1-propan-2-yl-2,5-dihydropyridin-6-imine
CID 56625185
N-butyl-2,5-dihydropyridin-6-amine
CID 56627724
N,1-di(propan-2-yl)-2,5-dihydropyridin-6-imine
CID 56627937

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide?
The IUPAC name of N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide (CID 143393865) is N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide.
What is the SMILES notation for N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide?
The canonical SMILES for N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide is CCCCN(CCC)C(C)/C=C\CN/C(C)=N/C.
What is the InChIKey of N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide?
The InChIKey is LQCSBXPFONLMIY-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H31N3/c1-6-8-13-18(12-7-2)14(3)10-9-11-17-15(4)16-5/h9-10,14H,6-8,11-13H2,1-5H3,(H,16,17)/b10-9-.
What are the key properties of N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide?
N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide has a molecular weight of 253.43 g/mol, XLogP of 3.08, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide is sourced from PubChem (CID 143393865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).