3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol

C13H30N2O — CID 114496644

IUPAC3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)CCC(N)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(16,7-2)10-15(5)9-8-12(14)11(3)4/h11-12,16H,6-10,14H2,1-5H3
InChIKeyQUYQHAJOHGOGOB-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds8

About 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol

3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol (PubChem CID 114496644) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
PubChem CID114496644
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol
SMILESCCC(O)(CC)CN(C)CCC(N)C(C)C
InChIInChI=1S/C13H30N2O/c1-6-13(16,7-2)10-15(5)9-8-12(14)11(3)4/h11-12,16H,6-10,14H2,1-5H3
InChIKeyQUYQHAJOHGOGOB-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.40
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[methyl(3-methylbutyl)amino]methyl]pentan-3-ol
CID 115919417
3-[[methyl(propyl)amino]methyl]pentan-3-ol
CID 115927293
1-N,4-dimethyl-1-N-pentylpentane-1,3-diamine
CID 81490182
2-[(3-amino-4-methylpentyl)-methylamino]-N-ethyl-N-methylacetamide
CID 115317830
N-(3-amino-4-methylpentyl)-N,2,2-trimethylbutanamide
CID 81484329
1-N-(2,2-difluoro-2-phenylethyl)-1-N,4-dimethylpentane-1,3-diamine
CID 116790104
2-[(3-amino-4-methylpentyl)-methylamino]-N-tert-butylacetamide
CID 81490277
1-N-(2,3-dichloroprop-2-enyl)-1-N,4-dimethylpentane-1,3-diamine
CID 115317840
3-[[bis(3-methylbutyl)amino]methyl]pentan-3-ol
CID 107870720
N-(3-amino-4-methylpentyl)-N-methylpropanamide
CID 81484424
1-N,4-dimethyl-1-N-pent-3-ynylpentane-1,3-diamine
CID 104809119
1-N-heptan-4-yl-1-N,4-dimethylpentane-1,3-diamine
CID 115317385

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol (CID 114496644) is 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol is CCC(O)(CC)CN(C)CCC(N)C(C)C.
What is the InChIKey of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol?
The InChIKey is QUYQHAJOHGOGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-13(16,7-2)10-15(5)9-8-12(14)11(3)4/h11-12,16H,6-10,14H2,1-5H3.
What are the key properties of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol?
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pentan-3-ol is sourced from PubChem (CID 114496644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).