(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine

C14H25N3 — CID 164642173

IUPAC(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)N(C)CCn1ccnc1
InChIInChI=1S/C14H25N3/c1-13(2)6-5-7-14(3)16(4)10-11-17-9-8-15-12-17/h6,8-9,12,14H,5,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeyATZQPAIGSOFUOQ-AWEZNQCLSA-N
MW235.38 g/mol
LogP2.95
Rot. Bonds7

About (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine

(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine (PubChem CID 164642173) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine.

Molecular Properties

Compound Name(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
PubChem CID164642173
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
SMILESCC(C)=CCC[C@H](C)N(C)CCn1ccnc1
InChIInChI=1S/C14H25N3/c1-13(2)6-5-7-14(3)16(4)10-11-17-9-8-15-12-17/h6,8-9,12,14H,5,7,10-11H2,1-4H3/t14-/m0/s1
InChIKeyATZQPAIGSOFUOQ-AWEZNQCLSA-N
XLogP2.95
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine?
The IUPAC name of (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine (CID 164642173) is (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine.
What is the SMILES notation for (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine?
The canonical SMILES for (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine is CC(C)=CCC[C@H](C)N(C)CCn1ccnc1.
What is the InChIKey of (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine?
The InChIKey is ATZQPAIGSOFUOQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H25N3/c1-13(2)6-5-7-14(3)16(4)10-11-17-9-8-15-12-17/h6,8-9,12,14H,5,7,10-11H2,1-4H3/t14-/m0/s1.
What are the key properties of (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine?
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine has a molecular weight of 235.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine is sourced from PubChem (CID 164642173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).