(Z)-N-methylhept-2-en-2-amine

C8H17N — CID 90448408

IUPAC(Z)-N-methylhept-2-en-2-amine
SMILESCCCC/C=C(/C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h7,9H,4-6H2,1-3H3/b8-7-
InChIKeyLTINJICYVQDPQH-FPLPWBNLSA-N
MW127.23 g/mol
LogP2.30
Rot. Bonds4

About (Z)-N-methylhept-2-en-2-amine

(Z)-N-methylhept-2-en-2-amine (PubChem CID 90448408) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (Z)-N-methylhept-2-en-2-amine.

Molecular Properties

Compound Name(Z)-N-methylhept-2-en-2-amine
PubChem CID90448408
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(Z)-N-methylhept-2-en-2-amine
SMILESCCCC/C=C(/C)NC
InChIInChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h7,9H,4-6H2,1-3H3/b8-7-
InChIKeyLTINJICYVQDPQH-FPLPWBNLSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-(methylideneamino)hept-2-en-2-amine
CID 134535297
(Z)-2-methoxyhept-2-ene
CID 21160203
lithium hept-2-en-2-olate
CID 134859584
4,5-dimethyldeca-3,5-diene
CID 76540100
N-[(E)-hept-2-en-2-yl]-3-sulfanylpropanamide
CID 174347362
N,2-dimethylundec-2-enamide
CID 4562078
methylamino 2-methylhept-2-enoate
CID 174825179
methyl (E)-2-methylhept-2-enoate
CID 13122847
4-methylnona-2,4-diene
CID 123785331
(2E,4Z)-4-methylnona-2,4-diene
CID 139728618
5-butyldec-5-ene
CID 15367252
(2Z,4E)-1-(methylamino)nona-2,4-dien-4-ol
CID 170406622

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methylhept-2-en-2-amine?
The IUPAC name of (Z)-N-methylhept-2-en-2-amine (CID 90448408) is (Z)-N-methylhept-2-en-2-amine.
What is the SMILES notation for (Z)-N-methylhept-2-en-2-amine?
The canonical SMILES for (Z)-N-methylhept-2-en-2-amine is CCCC/C=C(/C)NC.
What is the InChIKey of (Z)-N-methylhept-2-en-2-amine?
The InChIKey is LTINJICYVQDPQH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-7-8(2)9-3/h7,9H,4-6H2,1-3H3/b8-7-.
What are the key properties of (Z)-N-methylhept-2-en-2-amine?
(Z)-N-methylhept-2-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylhept-2-en-2-amine is sourced from PubChem (CID 90448408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).