N-[(E)-pent-3-enyl]heptan-4-amine

C12H25N — CID 115677072

IUPACN-[(E)-pent-3-enyl]heptan-4-amine
SMILESC/C=C/CCNC(CCC)CCC
InChIInChI=1S/C12H25N/c1-4-7-8-11-13-12(9-5-2)10-6-3/h4,7,12-13H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyUJEJWUKPYHWXQT-QPJJXVBHSA-N
MW183.34 g/mol
LogP3.51
Rot. Bonds8

About N-[(E)-pent-3-enyl]heptan-4-amine

N-[(E)-pent-3-enyl]heptan-4-amine (PubChem CID 115677072) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-[(E)-pent-3-enyl]heptan-4-amine.

Molecular Properties

Compound NameN-[(E)-pent-3-enyl]heptan-4-amine
PubChem CID115677072
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-[(E)-pent-3-enyl]heptan-4-amine
SMILESC/C=C/CCNC(CCC)CCC
InChIInChI=1S/C12H25N/c1-4-7-8-11-13-12(9-5-2)10-6-3/h4,7,12-13H,5-6,8-11H2,1-3H3/b7-4+
InChIKeyUJEJWUKPYHWXQT-QPJJXVBHSA-N
XLogP3.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-pent-3-enyl]hexan-2-amine
CID 115890171
methyl 2-[[(E)-pent-3-enyl]amino]hexanoate
CID 103265585
6-methylnon-2-ene
CID 21361194
(E)-N-(1-pyridin-2-ylbutyl)pent-3-en-1-amine
CID 115890101
(E)-N-(1-ethoxypropan-2-yl)pent-3-en-1-amine
CID 115890248
N-pentyloctan-4-amine
CID 106023306
3-N-propylhexane-1,3-diamine
CID 88724695
N-butylpent-3-en-1-amine
CID 73198487
(E)-N-ethylpent-3-en-1-amine;hydrochloride
CID 155386330
6-methyl-N-propan-2-ylnon-3-en-1-amine
CID 79592090
(E)-N-(1-cyclopropylpropan-2-yl)pent-3-en-1-amine
CID 115890255
ethane;(E)-hex-2-ene
CID 142405633

Frequently Asked Questions

What is the IUPAC name of N-[(E)-pent-3-enyl]heptan-4-amine?
The IUPAC name of N-[(E)-pent-3-enyl]heptan-4-amine (CID 115677072) is N-[(E)-pent-3-enyl]heptan-4-amine.
What is the SMILES notation for N-[(E)-pent-3-enyl]heptan-4-amine?
The canonical SMILES for N-[(E)-pent-3-enyl]heptan-4-amine is C/C=C/CCNC(CCC)CCC.
What is the InChIKey of N-[(E)-pent-3-enyl]heptan-4-amine?
The InChIKey is UJEJWUKPYHWXQT-QPJJXVBHSA-N. The full InChI is InChI=1S/C12H25N/c1-4-7-8-11-13-12(9-5-2)10-6-3/h4,7,12-13H,5-6,8-11H2,1-3H3/b7-4+.
What are the key properties of N-[(E)-pent-3-enyl]heptan-4-amine?
N-[(E)-pent-3-enyl]heptan-4-amine has a molecular weight of 183.34 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pent-3-enyl]heptan-4-amine is sourced from PubChem (CID 115677072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).