N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine

C12H23N — CID 123536771

IUPACN,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine
SMILESCCC(C)C=CC1(N(C)C)CC1C
InChIInChI=1S/C12H23N/c1-6-10(2)7-8-12(13(4)5)9-11(12)3/h7-8,10-11H,6,9H2,1-5H3
InChIKeyCKANPVBBOBLEOS-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.93
Rot. Bonds4

About N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine

N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine (PubChem CID 123536771) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine
PubChem CID123536771
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine
SMILESCCC(C)C=CC1(N(C)C)CC1C
InChIInChI=1S/C12H23N/c1-6-10(2)7-8-12(13(4)5)9-11(12)3/h7-8,10-11H,6,9H2,1-5H3
InChIKeyCKANPVBBOBLEOS-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.93
H-Bond Donors ≤ 50
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,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine?
The IUPAC name of N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine (CID 123536771) is N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine.
What is the SMILES notation for N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine?
The canonical SMILES for N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine is CCC(C)C=CC1(N(C)C)CC1C.
What is the InChIKey of N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine?
The InChIKey is CKANPVBBOBLEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-6-10(2)7-8-12(13(4)5)9-11(12)3/h7-8,10-11H,6,9H2,1-5H3.
What are the key properties of N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine?
N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-(3-methylpent-1-enyl)cyclopropan-1-amine is sourced from PubChem (CID 123536771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).