1-[(3-butylanilino)methyl]cyclohexan-1-ol

C17H27NO — CID 90045580

IUPAC1-[(3-butylanilino)methyl]cyclohexan-1-ol
SMILESCCCCc1cccc(NCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-8-15-9-7-10-16(13-15)18-14-17(19)11-5-4-6-12-17/h7,9-10,13,18-19H,2-6,8,11-12,14H2,1H3
InChIKeyLABPAKGPBSHOFT-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.14
Rot. Bonds6

About 1-[(3-butylanilino)methyl]cyclohexan-1-ol

1-[(3-butylanilino)methyl]cyclohexan-1-ol (PubChem CID 90045580) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is 1-[(3-butylanilino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(3-butylanilino)methyl]cyclohexan-1-ol
PubChem CID90045580
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC Name1-[(3-butylanilino)methyl]cyclohexan-1-ol
SMILESCCCCc1cccc(NCC2(O)CCCCC2)c1
InChIInChI=1S/C17H27NO/c1-2-3-8-15-9-7-10-16(13-15)18-14-17(19)11-5-4-6-12-17/h7,9-10,13,18-19H,2-6,8,11-12,14H2,1H3
InChIKeyLABPAKGPBSHOFT-UHFFFAOYSA-N
XLogP4.14
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-amino-3-hydroxypropyl)anilino]methyl]cyclohexan-1-ol;hydrochloride
CID 67296595
2,2,2-trifluoro-N-[3-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]propyl]acetamide
CID 87344500
1-[(3-butylphenoxy)methyl]cycloheptan-1-ol
CID 69097308
1-[(3-methylanilino)methyl]cyclopentan-1-ol
CID 65210676
N-[3-[(1-hydroxycyclohexyl)methylamino]phenyl]acetamide
CID 60898504
1-[(3-chloroanilino)methyl]cyclobutan-1-ol
CID 131701731
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
1-[(2,6-dimethylanilino)methyl]cyclohexan-1-ol
CID 62332412
1-[[[6-(ethylamino)-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 80843577
1-[[4-(2-hydroxyethyl)anilino]methyl]cyclopentan-1-ol
CID 126846856
1-[(4-fluoro-3-methylanilino)methyl]cyclopentan-1-ol
CID 65210645
1-[(3,4-dimethoxyanilino)methyl]cyclopentan-1-ol
CID 65211407

Frequently Asked Questions

What is the IUPAC name of 1-[(3-butylanilino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(3-butylanilino)methyl]cyclohexan-1-ol (CID 90045580) is 1-[(3-butylanilino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(3-butylanilino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(3-butylanilino)methyl]cyclohexan-1-ol is CCCCc1cccc(NCC2(O)CCCCC2)c1.
What is the InChIKey of 1-[(3-butylanilino)methyl]cyclohexan-1-ol?
The InChIKey is LABPAKGPBSHOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-8-15-9-7-10-16(13-15)18-14-17(19)11-5-4-6-12-17/h7,9-10,13,18-19H,2-6,8,11-12,14H2,1H3.
What are the key properties of 1-[(3-butylanilino)methyl]cyclohexan-1-ol?
1-[(3-butylanilino)methyl]cyclohexan-1-ol has a molecular weight of 261.41 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-butylanilino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 90045580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).