N-methylhept-4-en-1-amine

C8H17N — CID 122695118

IUPACN-methylhept-4-en-1-amine
SMILESCCC=CCCCNC
InChIInChI=1S/C8H17N/c1-3-4-5-6-7-8-9-2/h4-5,9H,3,6-8H2,1-2H3
InChIKeyLWHLAWMFAGRYLF-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds5

About N-methylhept-4-en-1-amine

N-methylhept-4-en-1-amine (PubChem CID 122695118) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-methylhept-4-en-1-amine.

Molecular Properties

Compound NameN-methylhept-4-en-1-amine
PubChem CID122695118
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-methylhept-4-en-1-amine
SMILESCCC=CCCCNC
InChIInChI=1S/C8H17N/c1-3-4-5-6-7-8-9-2/h4-5,9H,3,6-8H2,1-2H3
InChIKeyLWHLAWMFAGRYLF-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 51.95
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

(Z)-N-propylhept-4-en-1-amine
CID 142957499
N-methyloct-3-en-1-amine
CID 79592255
(3E,16E)-nonadeca-3,16-diene
CID 157471321
(3E,5Z)-9-(methylamino)nona-3,5-diene-4-thiol
CID 142188533
N-methyloctadeca-9,12-dien-1-amine
CID 72503072
N-[(E)-hept-4-enyl]methanesulfonamide
CID 134862066
(3Z,7Z,11Z)-tetradeca-3,7,11-triene
CID 123167975
(7Z)-deca-3,7-diene
CID 173009236
(9Z,12Z)-N-methyloctadeca-9,12-dien-1-amine;hydrochloride
CID 175800296
N-[(Z)-hept-4-enyl]-N',N'-dimethylpropane-1,3-diamine
CID 88890905
(E)-non-3-ene
CID 5364445
hept-4-enylazanium
CID 148945240

Frequently Asked Questions

What is the IUPAC name of N-methylhept-4-en-1-amine?
The IUPAC name of N-methylhept-4-en-1-amine (CID 122695118) is N-methylhept-4-en-1-amine.
What is the SMILES notation for N-methylhept-4-en-1-amine?
The canonical SMILES for N-methylhept-4-en-1-amine is CCC=CCCCNC.
What is the InChIKey of N-methylhept-4-en-1-amine?
The InChIKey is LWHLAWMFAGRYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-3-4-5-6-7-8-9-2/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of N-methylhept-4-en-1-amine?
N-methylhept-4-en-1-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhept-4-en-1-amine is sourced from PubChem (CID 122695118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).