(E)-3-methylhept-3-en-2-amine

C8H17N — CID 163910373

IUPAC(E)-3-methylhept-3-en-2-amine
SMILESCCC/C=C(\C)C(C)N
InChIInChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+
InChIKeyQRNVTHQNPVLJHA-VOTSOKGWSA-N
MW127.23 g/mol
LogP2.08
Rot. Bonds3

About (E)-3-methylhept-3-en-2-amine

(E)-3-methylhept-3-en-2-amine (PubChem CID 163910373) has the molecular formula C8H17N and a molecular weight of 127.23 g/mol. Its IUPAC name is (E)-3-methylhept-3-en-2-amine.

Molecular Properties

Compound Name(E)-3-methylhept-3-en-2-amine
PubChem CID163910373
Molecular FormulaC8H17N
Molecular Weight127.23 g/mol
Exact Mass127.14
IUPAC Name(E)-3-methylhept-3-en-2-amine
SMILESCCC/C=C(\C)C(C)N
InChIInChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+
InChIKeyQRNVTHQNPVLJHA-VOTSOKGWSA-N
XLogP2.08
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.23
LogP ≤ 52.08
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

3-methylhept-3-en-2-amine
CID 130574470
(E,2R)-3-methylhex-3-en-2-amine
CID 146859099
2-propan-2-yloxyhex-2-ene
CID 123193761
2,3-dimethylhept-2-ene;(Z)-2,3-dimethylhept-3-ene
CID 169426930
3,7-dimethyldeca-3,6,9-trien-2-amine
CID 123138602
methyl (E)-2-hydroxy-3-methylhept-3-enoate
CID 22150999
2,3-dihydroxypropyl 2,3-dimethylhept-3-enoate
CID 173108432
hydrogen peroxide;2-methyl-3-propan-2-ylhept-3-ene
CID 172808064
(Z)-4,5-dimethylhex-3-en-1-amine
CID 152928892
(E)-2-chlorohex-2-ene
CID 19796923
7,8-dimethyltridec-6-ene
CID 123214902
4-butan-2-yl-2,3-dimethyloct-4-ene
CID 123920720

Frequently Asked Questions

What is the IUPAC name of (E)-3-methylhept-3-en-2-amine?
The IUPAC name of (E)-3-methylhept-3-en-2-amine (CID 163910373) is (E)-3-methylhept-3-en-2-amine.
What is the SMILES notation for (E)-3-methylhept-3-en-2-amine?
The canonical SMILES for (E)-3-methylhept-3-en-2-amine is CCC/C=C(\C)C(C)N.
What is the InChIKey of (E)-3-methylhept-3-en-2-amine?
The InChIKey is QRNVTHQNPVLJHA-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17N/c1-4-5-6-7(2)8(3)9/h6,8H,4-5,9H2,1-3H3/b7-6+.
What are the key properties of (E)-3-methylhept-3-en-2-amine?
(E)-3-methylhept-3-en-2-amine has a molecular weight of 127.23 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylhept-3-en-2-amine is sourced from PubChem (CID 163910373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).