2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol

C14H32N2O — CID 64827745

IUPAC2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
SMILESCCCCCN(C(C)C)C(C)CC(C)(N)CO
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-16(12(2)3)13(4)10-14(5,15)11-17/h12-13,17H,6-11,15H2,1-5H3
InChIKeyRTXUCAKYQYXWBK-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.38
Rot. Bonds9

About 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol

2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol (PubChem CID 64827745) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
PubChem CID64827745
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Name2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol
SMILESCCCCCN(C(C)C)C(C)CC(C)(N)CO
InChIInChI=1S/C14H32N2O/c1-6-7-8-9-16(12(2)3)13(4)10-14(5,15)11-17/h12-13,17H,6-11,15H2,1-5H3
InChIKeyRTXUCAKYQYXWBK-UHFFFAOYSA-N
XLogP2.38
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.38
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

2-amino-4-[butyl(ethyl)amino]-2-methylpentan-1-ol
CID 64798812
2-amino-4-[cyclopropylmethyl(propan-2-yl)amino]-2-methylpentan-1-ol
CID 64826211
2-amino-2-methyl-4-[methyl(propan-2-yl)amino]pentan-1-ol
CID 64796081
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propan-2-ylamino)pentanenitrile
CID 64727295
N,N-di(propan-2-yl)heptadecan-1-amine
CID 138744995
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanenitrile
CID 64727095
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
N'-hydroxy-3-[pentyl(propan-2-yl)amino]butanimidamide
CID 76911929
N,N-di(propan-2-yl)butan-1-amine
CID 11062646
2-amino-2-methylhexadecan-1-ol
CID 87201246
2-methyl-1-N-pentyl-1-N-propan-2-ylbutane-1,2-diamine
CID 79811282
(2R)-2-amino-2-methylhexan-1-ol
CID 55277892

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol?
The IUPAC name of 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol (CID 64827745) is 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol.
What is the SMILES notation for 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol?
The canonical SMILES for 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol is CCCCCN(C(C)C)C(C)CC(C)(N)CO.
What is the InChIKey of 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol?
The InChIKey is RTXUCAKYQYXWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O/c1-6-7-8-9-16(12(2)3)13(4)10-14(5,15)11-17/h12-13,17H,6-11,15H2,1-5H3.
What are the key properties of 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol?
2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol has a molecular weight of 244.42 g/mol, XLogP of 2.38, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[pentyl(propan-2-yl)amino]pentan-1-ol is sourced from PubChem (CID 64827745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).