N-methylhept-4-en-2-amine

C8H17N — CID 123748755

IUPACN-methylhept-4-en-2-amine
SMILESCCC=CCC(C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyMCEOHFKZRBUSIK-UHFFFAOYSA-N
MW127.23 g/mol
LogP1.95
Rot. Bonds4

About N-methylhept-4-en-2-amine

N-methylhept-4-en-2-amine (PubChem CID 123748755) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is N-methylhept-4-en-2-amine.

Molecular Properties

Compound NameN-methylhept-4-en-2-amine
PubChem CID123748755
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC NameN-methylhept-4-en-2-amine
SMILESCCC=CCC(C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h5-6,8-9H,4,7H2,1-3H3
InChIKeyMCEOHFKZRBUSIK-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(methylamino)pent-1-en-1-ol;hydrochloride
CID 173080856
7,7,7-trifluoro-6-methylhept-3-ene
CID 57248627
2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
CID 144507824
(E,2S,4S)-non-6-ene-2,4-diol
CID 102156036
10-methylundeca-3,7-diene
CID 91333064
(3Z,6Z)-N-methylnona-3,6-dien-2-amine
CID 139549250
(E)-1,1-dibromohex-3-ene
CID 87991794
(Z)-1,1-dibromohex-3-ene
CID 175999382
6,9-dimethylundec-3-ene
CID 90927797
6-deuterio-6-methylhept-3-ene;2,2-dimethylpropane
CID 159586775
hex-3-ene;hydrochloride
CID 159012047
hex-3-ene;sulfane
CID 174453265

Frequently Asked Questions

What is the IUPAC name of N-methylhept-4-en-2-amine?
The IUPAC name of N-methylhept-4-en-2-amine (CID 123748755) is N-methylhept-4-en-2-amine.
What is the SMILES notation for N-methylhept-4-en-2-amine?
The canonical SMILES for N-methylhept-4-en-2-amine is CCC=CCC(C)NC.
What is the InChIKey of N-methylhept-4-en-2-amine?
The InChIKey is MCEOHFKZRBUSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of N-methylhept-4-en-2-amine?
N-methylhept-4-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhept-4-en-2-amine is sourced from PubChem (CID 123748755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).