2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium

C12H26N+ — CID 177124331

IUPAC2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium
SMILESCC(C)CC[N+](C)(C)CCC1CC1
InChIInChI=1S/C12H26N/c1-11(2)7-9-13(3,4)10-8-12-5-6-12/h11-12H,5-10H2,1-4H3/q+1
InChIKeyWHBNRGOOXZBWGN-UHFFFAOYSA-N
MW184.35 g/mol
LogP2.91
Rot. Bonds6

About 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium

2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium (PubChem CID 177124331) has the molecular formula C12H26N+ and a molecular weight of 184.35 g/mol. Its IUPAC name is 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium.

Molecular Properties

Compound Name2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium
PubChem CID177124331
Molecular FormulaC12H26N+
Molecular Weight184.35 g/mol
Exact Mass184.21
IUPAC Name2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium
SMILESCC(C)CC[N+](C)(C)CCC1CC1
InChIInChI=1S/C12H26N/c1-11(2)7-9-13(3,4)10-8-12-5-6-12/h11-12H,5-10H2,1-4H3/q+1
InChIKeyWHBNRGOOXZBWGN-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylbutyl)diethylamine
CID 199672
N,N,2-trimethylpentan-1-amine
CID 3600718
Diethyl-(2-methyl-hexyl)-amine
CID 21965431
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
Isoamyldibutylamine
CID 20558830
1-Pentanamine, N,N-bis(2-methylbutyl)-
CID 92038238
(2-Methylbutyl)dipropylamine
CID 20603381
N-diethyl-N-(2-methylpentyl)amine
CID 21965440
N-(cyclopropylmethyl)-N-ethylethaneamine
CID 58866093
(S)-(2-methylbutyl)dipropylamine
CID 59111738
1-Pentanamine, N-(2-methylbutyl)-N-pentyl-
CID 92033518

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium?
The IUPAC name of 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium (CID 177124331) is 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium.
What is the SMILES notation for 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium?
The canonical SMILES for 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium is CC(C)CC[N+](C)(C)CCC1CC1.
What is the InChIKey of 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium?
The InChIKey is WHBNRGOOXZBWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N/c1-11(2)7-9-13(3,4)10-8-12-5-6-12/h11-12H,5-10H2,1-4H3/q+1.
What are the key properties of 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium?
2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium has a molecular weight of 184.35 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropylethyl-dimethyl-(3-methylbutyl)azanium is sourced from PubChem (CID 177124331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).