2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol

C13H28N2O — CID 64826223

IUPAC2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
SMILESCCC1CCC(N(C)CC(C)(N)CO)CC1
InChIInChI=1S/C13H28N2O/c1-4-11-5-7-12(8-6-11)15(3)9-13(2,14)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyNFDLEGTUUUVDEI-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.60
Rot. Bonds5

About 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol

2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol (PubChem CID 64826223) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
PubChem CID64826223
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol
SMILESCCC1CCC(N(C)CC(C)(N)CO)CC1
InChIInChI=1S/C13H28N2O/c1-4-11-5-7-12(8-6-11)15(3)9-13(2,14)10-16/h11-12,16H,4-10,14H2,1-3H3
InChIKeyNFDLEGTUUUVDEI-UHFFFAOYSA-N
XLogP1.60
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-4-ethyl-N-methylcyclohexan-1-amine
CID 65000192
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propan-1-ol
CID 64826221
3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanehydrazide
CID 79631547
2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 62260394
methyl 3-[(4-ethylcyclohexyl)-methylamino]-2,2-dimethylpropanoate
CID 79621216
2-cyclopropyl-3-[(4-ethylcyclohexyl)-methylamino]-2-(propylamino)propan-1-ol
CID 64825822
1-N,2-dimethyl-1-N-(4-methylcyclohexyl)pentane-1,2-diamine
CID 61438014
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-methylbutanal
CID 62277389
2-amino-3-[butyl(cyclopropyl)amino]-2-methylpropan-1-ol
CID 64826521
2-cyclopropyl-2-(ethylamino)-3-[(4-ethylcyclohexyl)-methylamino]propanamide
CID 63916269
3-[(4-ethylcyclohexyl)-methylamino]propanethioamide
CID 61450716
N-cyclopropyl-2,2-diethyl-N'-(4-ethylcyclohexyl)-N'-methylpropane-1,3-diamine
CID 63494314

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol?
The IUPAC name of 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol (CID 64826223) is 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol is CCC1CCC(N(C)CC(C)(N)CO)CC1.
What is the InChIKey of 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol?
The InChIKey is NFDLEGTUUUVDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-11-5-7-12(8-6-11)15(3)9-13(2,14)10-16/h11-12,16H,4-10,14H2,1-3H3.
What are the key properties of 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol?
2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol has a molecular weight of 228.38 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(4-ethylcyclohexyl)-methylamino]-2-methylpropan-1-ol is sourced from PubChem (CID 64826223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).