1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol

C14H29NO — CID 79139004

IUPAC1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
SMILESCCC1CCCC(CN)(C(O)C(C)CC)C1
InChIInChI=1S/C14H29NO/c1-4-11(3)13(16)14(10-15)8-6-7-12(5-2)9-14/h11-13,16H,4-10,15H2,1-3H3
InChIKeyJQXKVFAPOVDOAY-UHFFFAOYSA-N
MW227.39 g/mol
LogP2.94
Rot. Bonds5

About 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol

1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol (PubChem CID 79139004) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
PubChem CID79139004
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol
SMILESCCC1CCCC(CN)(C(O)C(C)CC)C1
InChIInChI=1S/C14H29NO/c1-4-11(3)13(16)14(10-15)8-6-7-12(5-2)9-14/h11-13,16H,4-10,15H2,1-3H3
InChIKeyJQXKVFAPOVDOAY-UHFFFAOYSA-N
XLogP2.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-2-methylbutan-1-ol
CID 130513360
[1-(aminomethyl)-3-ethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137690
[1-(aminomethyl)-3-ethylcyclohexyl]-phenylmethanol
CID 79135617
(3-ethyl-1-propan-2-ylcyclopentyl)methanamine
CID 130515064
[1-(aminomethyl)-3-ethylcyclohexyl]-[3-(difluoromethyl)phenyl]methanol
CID 115530085
[1-(aminomethyl)-3-ethylcyclohexyl]-(1,3-dimethylpyrazol-4-yl)methanol
CID 83094813
[1-(aminomethyl)-3-ethylcyclohexyl]-pyridin-3-ylmethanol
CID 79135100
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,3-dichlorophenyl)methanol
CID 79138325
[1-(aminomethyl)-3-ethylcyclohexyl]-(2,4-difluorophenyl)methanol
CID 79138448
[1-(aminomethyl)-3-ethylcyclohexyl]-(3-bromofuran-2-yl)methanol
CID 106889658
2-[1-(aminomethyl)-3-ethylcyclohexyl]-3-methylbutan-2-ol
CID 79126503
[1-(aminomethyl)-3-ethylcyclohexyl]-(5-bromo-2-methoxyphenyl)methanol
CID 79126020

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol (CID 79139004) is 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol is CCC1CCCC(CN)(C(O)C(C)CC)C1.
What is the InChIKey of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol?
The InChIKey is JQXKVFAPOVDOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-11(3)13(16)14(10-15)8-6-7-12(5-2)9-14/h11-13,16H,4-10,15H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol?
1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol has a molecular weight of 227.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-3-ethylcyclohexyl]-2-methylbutan-1-ol is sourced from PubChem (CID 79139004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).