(Z,2R)-3-methyliminohept-4-en-2-amine

C8H16N2 — CID 145190461

IUPAC(Z,2R)-3-methyliminohept-4-en-2-amine
SMILESCC/C=C\C(=N/C)[C@@H](C)N
InChIInChI=1S/C8H16N2/c1-4-5-6-8(10-3)7(2)9/h5-7H,4,9H2,1-3H3/b6-5-,10-8+/t7-/m1/s1
InChIKeyNKQUXSOSNCQNNL-IQOFOUSHSA-N
MW140.23 g/mol
LogP1.37
Rot. Bonds3

About (Z,2R)-3-methyliminohept-4-en-2-amine

(Z,2R)-3-methyliminohept-4-en-2-amine (PubChem CID 145190461) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is (Z,2R)-3-methyliminohept-4-en-2-amine.

Molecular Properties

Compound Name(Z,2R)-3-methyliminohept-4-en-2-amine
PubChem CID145190461
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name(Z,2R)-3-methyliminohept-4-en-2-amine
SMILESCC/C=C\C(=N/C)[C@@H](C)N
InChIInChI=1S/C8H16N2/c1-4-5-6-8(10-3)7(2)9/h5-7H,4,9H2,1-3H3/b6-5-,10-8+/t7-/m1/s1
InChIKeyNKQUXSOSNCQNNL-IQOFOUSHSA-N
XLogP1.37
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

7-fluoro-2-[(E)-prop-1-enyl]-2,6-dihydroazepin-5-imine
CID 123675010
(4-Aminocyclohexa-2,5-dien-1-ylidene)-diethylazanium
CID 60040659
6-tert-butyl-2-[(Z)-prop-1-enyl]-2,3-dihydropyridin-3-amine
CID 68352890
(E)-4-ethenyliminohex-2-en-2-amine
CID 89277427
8-Iminonona-3,5-dien-2-amine
CID 90857903
2-[[(Z)-pent-3-en-2-ylidene]amino]ethanamine
CID 91302499
N-propylhept-4-en-3-imine
CID 91309689
N-ethyl-4-ethyliminocyclohexa-2,5-dien-1-amine
CID 118199222
(Z)-4-methyliminohex-2-en-1-amine
CID 123191267
(Z)-2-methyliminohex-3-en-1-amine
CID 123256608
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
1-(Pent-3-en-2-ylideneamino)ethanamine
CID 123330038

Frequently Asked Questions

What is the IUPAC name of (Z,2R)-3-methyliminohept-4-en-2-amine?
The IUPAC name of (Z,2R)-3-methyliminohept-4-en-2-amine (CID 145190461) is (Z,2R)-3-methyliminohept-4-en-2-amine.
What is the SMILES notation for (Z,2R)-3-methyliminohept-4-en-2-amine?
The canonical SMILES for (Z,2R)-3-methyliminohept-4-en-2-amine is CC/C=C\C(=N/C)[C@@H](C)N.
What is the InChIKey of (Z,2R)-3-methyliminohept-4-en-2-amine?
The InChIKey is NKQUXSOSNCQNNL-IQOFOUSHSA-N. The full InChI is InChI=1S/C8H16N2/c1-4-5-6-8(10-3)7(2)9/h5-7H,4,9H2,1-3H3/b6-5-,10-8+/t7-/m1/s1.
What are the key properties of (Z,2R)-3-methyliminohept-4-en-2-amine?
(Z,2R)-3-methyliminohept-4-en-2-amine has a molecular weight of 140.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-3-methyliminohept-4-en-2-amine is sourced from PubChem (CID 145190461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).