1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol

C16H34N2O2 — CID 62271318

IUPAC1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
SMILESCCCNCC1(CN(C)CC(O)COC)CCCCC1
InChIInChI=1S/C16H34N2O2/c1-4-10-17-13-16(8-6-5-7-9-16)14-18(2)11-15(19)12-20-3/h15,17,19H,4-14H2,1-3H3
InChIKeyCVXFSCCLVBQSSB-UHFFFAOYSA-N
MW286.46 g/mol
LogP1.88
Rot. Bonds10

About 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol

1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol (PubChem CID 62271318) has the molecular formula C16H34N2O2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol.

Molecular Properties

Compound Name1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
PubChem CID62271318
Molecular FormulaC16H34N2O2
Molecular Weight286.46 g/mol
Exact Mass286.26
IUPAC Name1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol
SMILESCCCNCC1(CN(C)CC(O)COC)CCCCC1
InChIInChI=1S/C16H34N2O2/c1-4-10-17-13-16(8-6-5-7-9-16)14-18(2)11-15(19)12-20-3/h15,17,19H,4-14H2,1-3H3
InChIKeyCVXFSCCLVBQSSB-UHFFFAOYSA-N
XLogP1.88
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,3-dimethyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]butan-1-amine
CID 62260720
1-[[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]methyl]cyclopentan-1-ol
CID 114953493
N-[[1-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 81074698
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclohexyl]methyl]propan-1-amine
CID 62258105
N-[[1-[[cyclopropylmethyl(methyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62256716
1-[[1-(2-aminoethyl)cyclopropyl]methyl-methylamino]-3-methoxypropan-2-ol
CID 65482115
N-[[1-(3-methylbutyl)cyclohexyl]methyl]propan-1-amine
CID 63509381
4-[[methyl-[[1-(propylaminomethyl)cyclopentyl]methyl]amino]methyl]oxan-4-ol
CID 114953652
N-[[1-[(dipropylamino)methyl]cyclohexyl]methyl]propan-1-amine
CID 55194825
N,3,3-trimethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63494958
N-[[1-[[1-cyclopropylethyl(2-methoxyethyl)amino]methyl]cyclopentyl]methyl]propan-1-amine
CID 62258948
N-ethyl-N-[[1-(propylaminomethyl)cyclohexyl]methyl]butan-2-amine
CID 63483648

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol?
The IUPAC name of 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol (CID 62271318) is 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol.
What is the SMILES notation for 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol?
The canonical SMILES for 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol is CCCNCC1(CN(C)CC(O)COC)CCCCC1.
What is the InChIKey of 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol?
The InChIKey is CVXFSCCLVBQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O2/c1-4-10-17-13-16(8-6-5-7-9-16)14-18(2)11-15(19)12-20-3/h15,17,19H,4-14H2,1-3H3.
What are the key properties of 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol?
1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol has a molecular weight of 286.46 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-[methyl-[[1-(propylaminomethyl)cyclohexyl]methyl]amino]propan-2-ol is sourced from PubChem (CID 62271318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).