1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol

C14H30N2O — CID 64819128

IUPAC1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)CC1CCCCC1
InChIInChI=1S/C14H30N2O/c1-12(9-14(2,17)11-15)16(3)10-13-7-5-4-6-8-13/h12-13,17H,4-11,15H2,1-3H3
InChIKeyPGACKHMAMDFUCP-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.99
Rot. Bonds6

About 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol

1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol (PubChem CID 64819128) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
PubChem CID64819128
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC Name1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol
SMILESCC(CC(C)(O)CN)N(C)CC1CCCCC1
InChIInChI=1S/C14H30N2O/c1-12(9-14(2,17)11-15)16(3)10-13-7-5-4-6-8-13/h12-13,17H,4-11,15H2,1-3H3
InChIKeyPGACKHMAMDFUCP-UHFFFAOYSA-N
XLogP1.99
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-4-[cyclopropylmethyl(methyl)amino]-2-methylpentan-2-ol
CID 64820897
1-amino-3-[cyclohexylmethyl(methyl)amino]-2-methylpropan-2-ol
CID 64819127
2-[cyclohexylmethyl(methyl)amino]propan-1-ol
CID 115772276
2-N-(cyclohexylmethyl)-2-N,4,4-trimethylpentane-1,2-diamine
CID 62950046
1-amino-4-[1-cyclopropylethyl(methyl)amino]-2-methylpentan-2-ol
CID 64821335
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64711667
4-[cyclohexylmethyl(methyl)amino]-2-methyl-2-(methylamino)pentanenitrile
CID 64725508
1-amino-2-methyl-4-[methyl(2-pyrrolidin-1-ylethyl)amino]pentan-2-ol
CID 64820509
N-(cyclohexylmethyl)-N-methylpropan-2-amine
CID 18711540
1-amino-2-methyl-4-[methyl(pentyl)amino]pentan-2-ol
CID 64820212
1-amino-2-methyl-4-[methyl-(4-methylcyclohexyl)amino]pentan-2-ol
CID 64819349
(2R)-2-[cyclobutylmethyl(methyl)amino]propan-1-ol
CID 131200890

Frequently Asked Questions

What is the IUPAC name of 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol?
The IUPAC name of 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol (CID 64819128) is 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol?
The canonical SMILES for 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol is CC(CC(C)(O)CN)N(C)CC1CCCCC1.
What is the InChIKey of 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol?
The InChIKey is PGACKHMAMDFUCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-12(9-14(2,17)11-15)16(3)10-13-7-5-4-6-8-13/h12-13,17H,4-11,15H2,1-3H3.
What are the key properties of 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol?
1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol has a molecular weight of 242.41 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-4-[cyclohexylmethyl(methyl)amino]-2-methylpentan-2-ol is sourced from PubChem (CID 64819128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).