(E)-N,4-dimethylhept-2-en-1-amine

C9H19N — CID 131243211

IUPAC(E)-N,4-dimethylhept-2-en-1-amine
SMILESCCCC(C)/C=C/CNC
InChIInChI=1S/C9H19N/c1-4-6-9(2)7-5-8-10-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+
InChIKeyBFVHWCVFEUYDSG-FNORWQNLSA-N
MW141.26 g/mol
LogP2.20
Rot. Bonds5

About (E)-N,4-dimethylhept-2-en-1-amine

(E)-N,4-dimethylhept-2-en-1-amine (PubChem CID 131243211) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (E)-N,4-dimethylhept-2-en-1-amine.

Molecular Properties

Compound Name(E)-N,4-dimethylhept-2-en-1-amine
PubChem CID131243211
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(E)-N,4-dimethylhept-2-en-1-amine
SMILESCCCC(C)/C=C/CNC
InChIInChI=1S/C9H19N/c1-4-6-9(2)7-5-8-10-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+
InChIKeyBFVHWCVFEUYDSG-FNORWQNLSA-N
XLogP2.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6R)-6-methylnon-4-ene
CID 175484589
(Z)-4-methylhept-2-ene
CID 5352649
(E)-3-methylhex-1-ene-1-thiol
CID 88973793
(Z)-N,4,5-trimethylhept-2-en-1-amine
CID 155275180
7-methyldeca-1,5-diene
CID 123987303
(E)-5-methyloct-3-en-2-ol
CID 87272942
(4Z)-2,6-dimethylnona-1,4-diene
CID 142337517
(E,5S)-5-methylnon-3-ene
CID 101420891
4,7,10,10-tetramethylundec-5-ene
CID 123457792
4-methyl-N-propan-2-ylhex-2-en-1-amine
CID 115278158
5-methyldodec-6-ene
CID 86165480
(2E,4Z)-6-methylnona-2,4-dien-2-ol
CID 142891903

Frequently Asked Questions

What is the IUPAC name of (E)-N,4-dimethylhept-2-en-1-amine?
The IUPAC name of (E)-N,4-dimethylhept-2-en-1-amine (CID 131243211) is (E)-N,4-dimethylhept-2-en-1-amine.
What is the SMILES notation for (E)-N,4-dimethylhept-2-en-1-amine?
The canonical SMILES for (E)-N,4-dimethylhept-2-en-1-amine is CCCC(C)/C=C/CNC.
What is the InChIKey of (E)-N,4-dimethylhept-2-en-1-amine?
The InChIKey is BFVHWCVFEUYDSG-FNORWQNLSA-N. The full InChI is InChI=1S/C9H19N/c1-4-6-9(2)7-5-8-10-3/h5,7,9-10H,4,6,8H2,1-3H3/b7-5+.
What are the key properties of (E)-N,4-dimethylhept-2-en-1-amine?
(E)-N,4-dimethylhept-2-en-1-amine has a molecular weight of 141.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,4-dimethylhept-2-en-1-amine is sourced from PubChem (CID 131243211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).