[5-amino-2-(dimethylamino)pentyl]-trimethylazanium

C10H26N3+ — CID 91479643

IUPAC[5-amino-2-(dimethylamino)pentyl]-trimethylazanium
SMILESCN(C)C(CCCN)C[N+](C)(C)C
InChIInChI=1S/C10H26N3/c1-12(2)10(7-6-8-11)9-13(3,4)5/h10H,6-9,11H2,1-5H3/q+1
InChIKeyCQHIHWRBZUKSCG-UHFFFAOYSA-N
MW188.34 g/mol
LogP0.36
Rot. Bonds6

About [5-amino-2-(dimethylamino)pentyl]-trimethylazanium

[5-amino-2-(dimethylamino)pentyl]-trimethylazanium (PubChem CID 91479643) has the molecular formula C10H26N3+ and a molecular weight of 188.34 g/mol. Its IUPAC name is [5-amino-2-(dimethylamino)pentyl]-trimethylazanium.

Molecular Properties

Compound Name[5-amino-2-(dimethylamino)pentyl]-trimethylazanium
PubChem CID91479643
Molecular FormulaC10H26N3+
Molecular Weight188.34 g/mol
Exact Mass188.21
IUPAC Name[5-amino-2-(dimethylamino)pentyl]-trimethylazanium
SMILESCN(C)C(CCCN)C[N+](C)(C)C
InChIInChI=1S/C10H26N3/c1-12(2)10(7-6-8-11)9-13(3,4)5/h10H,6-9,11H2,1-5H3/q+1
InChIKeyCQHIHWRBZUKSCG-UHFFFAOYSA-N
XLogP0.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N,6-trimethylheptane-1,4-diamine
CID 116905112
methyl 6-amino-3-(dimethylamino)hexanoate
CID 148654494
2-N,2-N-dimethylbutane-1,2,4-triamine
CID 18471403
5-methoxy-4-N-(2-methoxyethyl)-4-N-methylpentane-1,4-diamine
CID 103391769
[(2R)-4-amino-2-hydroxybutyl]-trimethylazanium;chloride;hydrochloride
CID 155821322
(4-amino-2-hydroxybutyl)-trimethylazanium;chloride;hydrochloride
CID 3026354
4-N,4-N-diethyl-5-methoxypentane-1,4-diamine
CID 103391611
1-cyclopentyl-N,N-dimethylbutane-1,4-diamine
CID 116905203
5-methoxy-4-N-methyl-4-N-pentan-2-ylpentane-1,4-diamine
CID 103391711
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
N,N-dimethyltetracontan-19-amine
CID 45382230

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(dimethylamino)pentyl]-trimethylazanium?
The IUPAC name of [5-amino-2-(dimethylamino)pentyl]-trimethylazanium (CID 91479643) is [5-amino-2-(dimethylamino)pentyl]-trimethylazanium.
What is the SMILES notation for [5-amino-2-(dimethylamino)pentyl]-trimethylazanium?
The canonical SMILES for [5-amino-2-(dimethylamino)pentyl]-trimethylazanium is CN(C)C(CCCN)C[N+](C)(C)C.
What is the InChIKey of [5-amino-2-(dimethylamino)pentyl]-trimethylazanium?
The InChIKey is CQHIHWRBZUKSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N3/c1-12(2)10(7-6-8-11)9-13(3,4)5/h10H,6-9,11H2,1-5H3/q+1.
What are the key properties of [5-amino-2-(dimethylamino)pentyl]-trimethylazanium?
[5-amino-2-(dimethylamino)pentyl]-trimethylazanium has a molecular weight of 188.34 g/mol, XLogP of 0.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(dimethylamino)pentyl]-trimethylazanium is sourced from PubChem (CID 91479643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).