4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol

C12H28N2O — CID 106841450

IUPAC4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
SMILESCC(C)CCC(C)(CN)NCCCCO
InChIInChI=1S/C12H28N2O/c1-11(2)6-7-12(3,10-13)14-8-4-5-9-15/h11,14-15H,4-10,13H2,1-3H3
InChIKeyUEURKKUBQORCJF-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.50
Rot. Bonds9

About 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol

4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol (PubChem CID 106841450) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
PubChem CID106841450
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol
SMILESCC(C)CCC(C)(CN)NCCCCO
InChIInChI=1S/C12H28N2O/c1-11(2)6-7-12(3,10-13)14-8-4-5-9-15/h11,14-15H,4-10,13H2,1-3H3
InChIKeyUEURKKUBQORCJF-UHFFFAOYSA-N
XLogP1.50
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dimethyl-2-N-prop-2-ynylhexane-1,2-diamine
CID 65382403
2-(6-hydroxyhexylamino)-2-methylpropane-1,3-diol
CID 103873312
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
3-[(1-amino-2-methyl-4-phenylbutan-2-yl)amino]propan-1-ol
CID 65378027
4-methoxy-3-methyl-3-(3-methylbutylamino)butan-1-ol
CID 111860116
2,5-dimethyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379569
3-methyl-N-(4-methylpentyl)pentan-3-amine
CID 102672207
2,5-dimethyl-2-(2-methylpropylamino)hexan-1-ol
CID 61054540
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
12-(tert-butylamino)dodecan-1-ol
CID 159274393
6-(7-methyloctylamino)hexan-1-ol
CID 107814970
4-[(1-amino-2-cyclopropylpropan-2-yl)amino]butan-1-ol
CID 106841375

Frequently Asked Questions

What is the IUPAC name of 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol?
The IUPAC name of 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol (CID 106841450) is 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol.
What is the SMILES notation for 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol?
The canonical SMILES for 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol is CC(C)CCC(C)(CN)NCCCCO.
What is the InChIKey of 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol?
The InChIKey is UEURKKUBQORCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-11(2)6-7-12(3,10-13)14-8-4-5-9-15/h11,14-15H,4-10,13H2,1-3H3.
What are the key properties of 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol?
4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol has a molecular weight of 216.37 g/mol, XLogP of 1.50, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-amino-2,5-dimethylhexan-2-yl)amino]butan-1-ol is sourced from PubChem (CID 106841450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).