3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol

C13H30N2O — CID 114356628

IUPAC3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
SMILESCCCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(5)11(10-16)12(14)13(2,3)4/h11-12,16H,6-10,14H2,1-5H3
InChIKeyAUJHXROWVJQGRM-UHFFFAOYSA-N
MW230.40 g/mol
LogP1.84
Rot. Bonds7

About 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol

3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol (PubChem CID 114356628) has the molecular formula C13H30N2O and a molecular weight of 230.40 g/mol. Its IUPAC name is 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol.

Molecular Properties

Compound Name3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
PubChem CID114356628
Molecular FormulaC13H30N2O
Molecular Weight230.40 g/mol
Exact Mass230.24
IUPAC Name3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol
SMILESCCCCCN(C)C(CO)C(N)C(C)(C)C
InChIInChI=1S/C13H30N2O/c1-6-7-8-9-15(5)11(10-16)12(14)13(2,3)4/h11-12,16H,6-10,14H2,1-5H3
InChIKeyAUJHXROWVJQGRM-UHFFFAOYSA-N
XLogP1.84
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-[butyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356500
3-amino-2-[3-methoxypropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114357181
(3R,4R)-2-[butyl(methyl)amino]pentane-1,3,4-triol
CID 137483960
3-amino-2-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-4,4-dimethylpentan-1-ol
CID 105414476
3-amino-2-[cyclopropyl(methyl)amino]-4,4-dimethylpentan-1-ol
CID 114356557
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
methyl (2S)-2-[methyl(pentyl)amino]propanoate
CID 21097433
2-[3,3-dimethylbutyl(methyl)amino]-3-methylbutan-1-ol
CID 115137760

Frequently Asked Questions

What is the IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol?
The IUPAC name of 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol (CID 114356628) is 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol.
What is the SMILES notation for 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol?
The canonical SMILES for 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol is CCCCCN(C)C(CO)C(N)C(C)(C)C.
What is the InChIKey of 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol?
The InChIKey is AUJHXROWVJQGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O/c1-6-7-8-9-15(5)11(10-16)12(14)13(2,3)4/h11-12,16H,6-10,14H2,1-5H3.
What are the key properties of 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol?
3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol has a molecular weight of 230.40 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4,4-dimethyl-2-[methyl(pentyl)amino]pentan-1-ol is sourced from PubChem (CID 114356628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).