1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol

C11H24N2O — CID 103390168

IUPAC1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)CN)C1
InChIInChI=1S/C11H24N2O/c1-9-4-3-5-11(14,6-9)8-13-10(2)7-12/h9-10,13-14H,3-8,12H2,1-2H3
InChIKeyWBBZXJHBVSPQNS-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.86
Rot. Bonds4

About 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol

1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol (PubChem CID 103390168) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
PubChem CID103390168
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol
SMILESCC1CCCC(O)(CNC(C)CN)C1
InChIInChI=1S/C11H24N2O/c1-9-4-3-5-11(14,6-9)8-13-10(2)7-12/h9-10,13-14H,3-8,12H2,1-2H3
InChIKeyWBBZXJHBVSPQNS-UHFFFAOYSA-N
XLogP0.86
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 64515514
N-carbamoyl-2-[(1-hydroxy-3-methylcyclohexyl)methylamino]propanamide
CID 65120634
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
(1-hydroxy-3-methylcyclohexyl)methylurea
CID 63374230
1-[[(1-hydroxy-3-methylcyclohexyl)methylamino]methyl]cycloheptan-1-ol
CID 65120782
(3R)-3-methyl-1-(2-methylpropyl)cyclohexan-1-ol
CID 121406243
3-methyl-1-[[(4-propan-2-ylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 65117349
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbutanamide
CID 65119480
2-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]phenol
CID 65116717
3-methyl-1-[[1-(2-methylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 65116779
3-methyl-1-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 65116819
2-(aminomethyl)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4,4-dimethylpentanamide
CID 107472285

Frequently Asked Questions

What is the IUPAC name of 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol?
The IUPAC name of 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol (CID 103390168) is 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol.
What is the SMILES notation for 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol?
The canonical SMILES for 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol is CC1CCCC(O)(CNC(C)CN)C1.
What is the InChIKey of 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol?
The InChIKey is WBBZXJHBVSPQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9-4-3-5-11(14,6-9)8-13-10(2)7-12/h9-10,13-14H,3-8,12H2,1-2H3.
What are the key properties of 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol?
1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol has a molecular weight of 200.33 g/mol, XLogP of 0.86, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-aminopropan-2-ylamino)methyl]-3-methylcyclohexan-1-ol is sourced from PubChem (CID 103390168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).