2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol

C12H28N2O — CID 175233404

IUPAC2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol
SMILESCCCCCN(C(N)CC)C(C)(C)CO
InChIInChI=1S/C12H28N2O/c1-5-7-8-9-14(11(13)6-2)12(3,4)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyCAZGSIGZAAKMRG-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.94
Rot. Bonds8

About 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol

2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol (PubChem CID 175233404) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol
PubChem CID175233404
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol
SMILESCCCCCN(C(N)CC)C(C)(C)CO
InChIInChI=1S/C12H28N2O/c1-5-7-8-9-14(11(13)6-2)12(3,4)10-15/h11,15H,5-10,13H2,1-4H3
InChIKeyCAZGSIGZAAKMRG-UHFFFAOYSA-N
XLogP1.94
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[heptyl(methyl)amino]-2-methylpropan-1-ol
CID 115644310
N-tert-butyl-N-propan-2-ylpentan-1-amine
CID 166958417
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
CID 114356628
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
CID 64827745
[hexyl(hydroxymethyl)amino]methanol
CID 18004283
[dodecyl(hydroxymethyl)amino]methanol
CID 19019052
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
N-decyl-N-dodecylhydroxylamine
CID 151707485
N,N-di(heptadecyl)hydroxylamine
CID 71426964
ethanol;heptane;propan-2-amine
CID 87057720
N-methyl-N-nonadecylhydroxylamine
CID 87390757
1-[2-hydroxybutyl(pentyl)amino]butan-2-ol
CID 23423727

Frequently Asked Questions

What is the IUPAC name of 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol (CID 175233404) is 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol is CCCCCN(C(N)CC)C(C)(C)CO.
What is the InChIKey of 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol?
The InChIKey is CAZGSIGZAAKMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-5-7-8-9-14(11(13)6-2)12(3,4)10-15/h11,15H,5-10,13H2,1-4H3.
What are the key properties of 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol?
2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.94, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-aminopropyl(pentyl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 175233404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).