1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol

C13H28N2O — CID 79122269

IUPAC1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
SMILESCCCNC1CCC(N(C)CC(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-4-9-14-12-5-7-13(8-6-12)15(3)10-11(2)16/h11-14,16H,4-10H2,1-3H3
InChIKeyKFQAYRPRSHPZBB-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.61
Rot. Bonds6

About 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol

1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol (PubChem CID 79122269) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
PubChem CID79122269
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol
SMILESCCCNC1CCC(N(C)CC(C)O)CC1
InChIInChI=1S/C13H28N2O/c1-4-9-14-12-5-7-13(8-6-12)15(3)10-11(2)16/h11-14,16H,4-10H2,1-3H3
InChIKeyKFQAYRPRSHPZBB-UHFFFAOYSA-N
XLogP1.61
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[methyl-[4-(propylamino)cyclohexyl]amino]propane-1,2-diol
CID 82842719
4-N-(2-ethylbutyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 82925922
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
4-N-methyl-4-N-[2-(3-methylbutoxy)ethyl]-1-N-propylcyclohexane-1,4-diamine
CID 79123103
2-[methyl-[4-(propylamino)cyclohexyl]amino]acetamide
CID 79122346
4-N-methyl-4-N-octyl-1-N-propylcyclohexane-1,4-diamine
CID 79122187
4-N-(cyclopentylmethyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 79123260
4-N-[(E)-but-2-enyl]-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 107898574
3-[[4-(ethylamino)cyclohexyl]-methylamino]propane-1,2-diol
CID 82842720
1-methyl-3-propan-2-yl-1-[4-(propylamino)cyclohexyl]urea
CID 79122790
4-N-butan-2-yl-4-N-ethyl-1-N-propylcyclohexane-1,4-diamine
CID 114762837
2-cyclopropyl-N-methyl-N-[4-(propylamino)cyclohexyl]propanamide
CID 83146539

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol (CID 79122269) is 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol is CCCNC1CCC(N(C)CC(C)O)CC1.
What is the InChIKey of 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol?
The InChIKey is KFQAYRPRSHPZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-4-9-14-12-5-7-13(8-6-12)15(3)10-11(2)16/h11-14,16H,4-10H2,1-3H3.
What are the key properties of 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol?
1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol has a molecular weight of 228.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[4-(propylamino)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 79122269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).