[1-(heptylamino)-4-methylcyclohexyl]methanol

C15H31NO — CID 55086742

IUPAC[1-(heptylamino)-4-methylcyclohexyl]methanol
SMILESCCCCCCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-12-16-15(13-17)10-8-14(2)9-11-15/h14,16-17H,3-13H2,1-2H3
InChIKeyZDIDQQKXOBIZIT-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.49
Rot. Bonds8

About [1-(heptylamino)-4-methylcyclohexyl]methanol

[1-(heptylamino)-4-methylcyclohexyl]methanol (PubChem CID 55086742) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is [1-(heptylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(heptylamino)-4-methylcyclohexyl]methanol
PubChem CID55086742
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name[1-(heptylamino)-4-methylcyclohexyl]methanol
SMILESCCCCCCCNC1(CO)CCC(C)CC1
InChIInChI=1S/C15H31NO/c1-3-4-5-6-7-12-16-15(13-17)10-8-14(2)9-11-15/h14,16-17H,3-13H2,1-2H3
InChIKeyZDIDQQKXOBIZIT-UHFFFAOYSA-N
XLogP3.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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

Computed Properties (RDKit)

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

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Related Compounds

[4-methyl-1-(octylamino)cyclohexyl]methanol
CID 63476632
[1-(hexylamino)cyclohexyl]methanol
CID 62519893
[1-(3-ethylsulfonylpropylamino)-4-methylcyclohexyl]methanol
CID 65092789
N-[1-(hydroxymethyl)-4-methylcyclohexyl]decanamide
CID 63404095
6-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-2,2-dimethylhexanenitrile
CID 106709283
[1-(butylamino)cyclohexyl]methanol
CID 62520970
[4-methyl-1-(2-propan-2-yloxyethylamino)cyclohexyl]methanol
CID 62552501
1-butoxy-3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]propan-2-ol
CID 107262769
1-(chloromethyl)-3-methyl-N-octylcyclohexan-1-amine
CID 65029958
[4-methyl-1-[(4-methylcyclohexyl)amino]cyclohexyl]methanol
CID 62526376
[3-butylsulfanyl-1-(propylamino)cyclopentyl]methanol
CID 79644828
4-[[1-(aminomethyl)-3-methylcyclopentyl]amino]butan-1-ol
CID 106841329

Frequently Asked Questions

What is the IUPAC name of [1-(heptylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(heptylamino)-4-methylcyclohexyl]methanol (CID 55086742) is [1-(heptylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(heptylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(heptylamino)-4-methylcyclohexyl]methanol is CCCCCCCNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-(heptylamino)-4-methylcyclohexyl]methanol?
The InChIKey is ZDIDQQKXOBIZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-3-4-5-6-7-12-16-15(13-17)10-8-14(2)9-11-15/h14,16-17H,3-13H2,1-2H3.
What are the key properties of [1-(heptylamino)-4-methylcyclohexyl]methanol?
[1-(heptylamino)-4-methylcyclohexyl]methanol has a molecular weight of 241.42 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(heptylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 55086742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).