N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine

C12H23N — CID 135231221

IUPACN,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine
SMILESC=C(C(CC(C)C)NC)C1(C)CC1
InChIInChI=1S/C12H23N/c1-9(2)8-11(13-5)10(3)12(4)6-7-12/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyDROVTWGGQYMNQZ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds5

About N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine

N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine (PubChem CID 135231221) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine
PubChem CID135231221
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine
SMILESC=C(C(CC(C)C)NC)C1(C)CC1
InChIInChI=1S/C12H23N/c1-9(2)8-11(13-5)10(3)12(4)6-7-12/h9,11,13H,3,6-8H2,1-2,4-5H3
InChIKeyDROVTWGGQYMNQZ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine?
The IUPAC name of N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine (CID 135231221) is N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine.
What is the SMILES notation for N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine?
The canonical SMILES for N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine is C=C(C(CC(C)C)NC)C1(C)CC1.
What is the InChIKey of N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine?
The InChIKey is DROVTWGGQYMNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)8-11(13-5)10(3)12(4)6-7-12/h9,11,13H,3,6-8H2,1-2,4-5H3.
What are the key properties of N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine?
N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-2-(1-methylcyclopropyl)hex-1-en-3-amine is sourced from PubChem (CID 135231221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).