1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol

C11H24ClNO — CID 112561466

IUPAC1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
SMILESCCCCCN(CC(O)CCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQWRDVPYARNUWTJ-UHFFFAOYSA-N
MW221.77 g/mol
LogP2.49
Rot. Bonds8

About 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol

1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol (PubChem CID 112561466) has the molecular formula C11H24ClNO and a molecular weight of 221.77 g/mol. Its IUPAC name is 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
PubChem CID112561466
Molecular FormulaC11H24ClNO
Molecular Weight221.77 g/mol
Exact Mass221.15
IUPAC Name1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol
SMILESCCCCCN(CC(O)CCl)C(C)C
InChIInChI=1S/C11H24ClNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3
InChIKeyQWRDVPYARNUWTJ-UHFFFAOYSA-N
XLogP2.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.77
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-3-[pentyl(propan-2-yl)amino]propan-2-ol
CID 112561467
1-chloro-3-[methyl(pentyl)amino]propan-2-ol
CID 112561245
N-(2-methylpropyl)-N-propan-2-ylhexan-1-amine
CID 59980738
N-dodecyl-N-propan-2-yltetradecan-1-amine
CID 87516029
N-(3-chloropropyl)-N-propan-2-yldecan-1-amine
CID 55183302
1-[2-hydroxydodecyl(propan-2-yl)amino]tridecan-2-ol
CID 171814651
1-[pentyl(propan-2-yl)amino]-3-piperazin-1-ylpropan-2-ol
CID 65449253
3-[bis(3-chloro-2-hydroxypropyl)amino]butan-1-ol
CID 142057138
1-chloro-3-[cyclopropylmethyl(propan-2-yl)amino]propan-2-ol
CID 112561477
2-methyl-3-[pentyl(propan-2-yl)amino]propanehydrazide
CID 63583676
4,4-dimethyl-1-[pentyl(propan-2-yl)amino]pentan-3-ol
CID 62624462
(2S)-1-butylsulfonyl-3-chloropropan-2-ol
CID 51689187

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The IUPAC name of 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol (CID 112561466) is 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol.
What is the SMILES notation for 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The canonical SMILES for 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol is CCCCCN(CC(O)CCl)C(C)C.
What is the InChIKey of 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol?
The InChIKey is QWRDVPYARNUWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24ClNO/c1-4-5-6-7-13(10(2)3)9-11(14)8-12/h10-11,14H,4-9H2,1-3H3.
What are the key properties of 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol?
1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol has a molecular weight of 221.77 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-[pentyl(propan-2-yl)amino]propan-2-ol is sourced from PubChem (CID 112561466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).