1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol

C16H33NO — CID 79137960

IUPAC1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-5-13(6-2)15(18)16(11-17)9-7-14(8-10-16)12(3)4/h12-15,18H,5-11,17H2,1-4H3
InChIKeyGUOBVDGNRWVFTK-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.57
Rot. Bonds6

About 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol

1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol (PubChem CID 79137960) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
PubChem CID79137960
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol
SMILESCCC(CC)C(O)C1(CN)CCC(C(C)C)CC1
InChIInChI=1S/C16H33NO/c1-5-13(6-2)15(18)16(11-17)9-7-14(8-10-16)12(3)4/h12-15,18H,5-11,17H2,1-4H3
InChIKeyGUOBVDGNRWVFTK-UHFFFAOYSA-N
XLogP3.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol?
The IUPAC name of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol (CID 79137960) is 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol.
What is the SMILES notation for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol?
The canonical SMILES for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol is CCC(CC)C(O)C1(CN)CCC(C(C)C)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol?
The InChIKey is GUOBVDGNRWVFTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-5-13(6-2)15(18)16(11-17)9-7-14(8-10-16)12(3)4/h12-15,18H,5-11,17H2,1-4H3.
What are the key properties of 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol?
1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol has a molecular weight of 255.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-propan-2-ylcyclohexyl]-2-ethylbutan-1-ol is sourced from PubChem (CID 79137960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).