N-propylpent-3-en-2-imine

C8H15N — CID 123895305

IUPACN-propylpent-3-en-2-imine
SMILESCC=C/C(C)=N/CCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4,6H,5,7H2,1-3H3/b6-4?,9-8+
InChIKeySMUXXRJBGKDMJI-CHPNIIKKSA-N
MW125.21 g/mol
LogP2.43
Rot. Bonds3

About N-propylpent-3-en-2-imine

N-propylpent-3-en-2-imine (PubChem CID 123895305) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is N-propylpent-3-en-2-imine.

Molecular Properties

Compound NameN-propylpent-3-en-2-imine
PubChem CID123895305
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC NameN-propylpent-3-en-2-imine
SMILESCC=C/C(C)=N/CCC
InChIInChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4,6H,5,7H2,1-3H3/b6-4?,9-8+
InChIKeySMUXXRJBGKDMJI-CHPNIIKKSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(2-methylbutyl)pent-3-en-2-imine
CID 123418366
lithium 4-propyliminopent-2-en-2-olate
CID 178130174
(NZ)-N-[(E)-pent-3-en-2-ylidene]hydroxylamine
CID 101070438
N-[(2Z,4Z)-hexa-2,4-dien-3-yl]pentan-2-imine
CID 142099496
ethane;N'-propylethanimidamide
CID 156797871
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
N-[(Z)-pent-3-en-2-ylidene]formamide
CID 146239104
2-methyl-N-propylhex-1-en-3-imine
CID 123390647
(Z)-N-[(3Z)-2-methylpenta-1,3-dien-3-yl]pent-3-en-2-imine
CID 126661402
N-ethenyl-N'-propylethanimidamide
CID 123737533
1,1-diethyl-3-prop-1-enyl-2-propylguanidine
CID 141286061
4-[(E)-3-octadecyliminobut-1-enyl]benzene-1,2-diol
CID 137028732

Frequently Asked Questions

What is the IUPAC name of N-propylpent-3-en-2-imine?
The IUPAC name of N-propylpent-3-en-2-imine (CID 123895305) is N-propylpent-3-en-2-imine.
What is the SMILES notation for N-propylpent-3-en-2-imine?
The canonical SMILES for N-propylpent-3-en-2-imine is CC=C/C(C)=N/CCC.
What is the InChIKey of N-propylpent-3-en-2-imine?
The InChIKey is SMUXXRJBGKDMJI-CHPNIIKKSA-N. The full InChI is InChI=1S/C8H15N/c1-4-6-8(3)9-7-5-2/h4,6H,5,7H2,1-3H3/b6-4?,9-8+.
What are the key properties of N-propylpent-3-en-2-imine?
N-propylpent-3-en-2-imine has a molecular weight of 125.21 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propylpent-3-en-2-imine is sourced from PubChem (CID 123895305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).