3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol

C15H31NO — CID 62060186

IUPAC3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCCC1CCC(NCC(O)(CC)CC)CC1
InChIInChI=1S/C15H31NO/c1-4-7-13-8-10-14(11-9-13)16-12-15(17,5-2)6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBRKKCTPUXWHFFF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.49
Rot. Bonds7

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

3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol (PubChem CID 62060186) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
PubChem CID62060186
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol
SMILESCCCC1CCC(NCC(O)(CC)CC)CC1
InChIInChI=1S/C15H31NO/c1-4-7-13-8-10-14(11-9-13)16-12-15(17,5-2)6-3/h13-14,16-17H,4-12H2,1-3H3
InChIKeyBRKKCTPUXWHFFF-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(cyclododecylamino)methyl]pentan-3-ol
CID 65105202
3-[(cyclooctylamino)methyl]pentan-3-ol
CID 65108396
3-[[(4-tert-butylcyclohexyl)amino]methyl]pentan-3-ol
CID 65107819
3-[[(4,4-dimethylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105869
N-butyl-4-propylcyclohexan-1-amine
CID 43080052
N-(2,2-dimethylpropyl)-4-propylcycloheptan-1-amine
CID 65091749
methyl 2,2-dimethyl-3-[(4-propylcyclohexyl)amino]propanoate
CID 79624157
(2R)-1-[(4-propylcyclohexyl)amino]propan-2-ol
CID 93033312
N-(3-methylbut-2-enyl)-4-propylcyclohexan-1-amine
CID 107899807
2-cyclopropyl-1-(cyclopropylamino)butan-2-ol
CID 64919587
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
2-[(2-ethyl-2-hydroxybutyl)amino]cyclohexan-1-ol
CID 65111156

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol?
The IUPAC name of 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol (CID 62060186) is 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol.
What is the SMILES notation for 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol?
The canonical SMILES for 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol is CCCC1CCC(NCC(O)(CC)CC)CC1.
What is the InChIKey of 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol?
The InChIKey is BRKKCTPUXWHFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-4-7-13-8-10-14(11-9-13)16-12-15(17,5-2)6-3/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol?
3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol has a molecular weight of 241.42 g/mol, XLogP of 3.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propylcyclohexyl)amino]methyl]pentan-3-ol is sourced from PubChem (CID 62060186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).