[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol

C14H29NO — CID 112703676

IUPAC[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)CNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-3-13(4-2)10-15-11-14(12-16)8-6-5-7-9-14/h13,15-16H,3-12H2,1-2H3
InChIKeyNTFRUZGRFJDZQN-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.95
Rot. Bonds7

About [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol

[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol (PubChem CID 112703676) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
PubChem CID112703676
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol
SMILESCCC(CC)CNCC1(CO)CCCCC1
InChIInChI=1S/C14H29NO/c1-3-13(4-2)10-15-11-14(12-16)8-6-5-7-9-14/h13,15-16H,3-12H2,1-2H3
InChIKeyNTFRUZGRFJDZQN-UHFFFAOYSA-N
XLogP2.95
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[[2-(dimethylamino)-3-methylbutyl]amino]methyl]cyclohexyl]methanol
CID 81412012
[1-(2-ethylbutyl)cyclohexyl]methanol
CID 82934579
1-[(2-ethylbutylamino)methyl]cyclobutan-1-ol
CID 115756769
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
[1-[[(2-methyl-3-piperidin-1-ylpropyl)amino]methyl]cyclohexyl]methanol
CID 81419423
tert-butyl N-[1-[[1-(hydroxymethyl)cyclohexyl]methylamino]butan-2-yl]carbamate
CID 107250152
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360
1-[[[1-(hydroxymethyl)cyclopentyl]methylamino]methyl]cycloheptan-1-ol
CID 115359618
N-[(1-cyclopropylcyclobutyl)methyl]-2-ethylbutan-1-amine
CID 115757341
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
[1-[[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]methyl]cyclohexyl]methanol
CID 81419716
2-[1-[(2-ethylbutylamino)methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 104874038

Frequently Asked Questions

What is the IUPAC name of [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol?
The IUPAC name of [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol (CID 112703676) is [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol is CCC(CC)CNCC1(CO)CCCCC1.
What is the InChIKey of [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol?
The InChIKey is NTFRUZGRFJDZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-3-13(4-2)10-15-11-14(12-16)8-6-5-7-9-14/h13,15-16H,3-12H2,1-2H3.
What are the key properties of [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol?
[1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol has a molecular weight of 227.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-ethylbutylamino)methyl]cyclohexyl]methanol is sourced from PubChem (CID 112703676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).