N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine

C17H37N3 — CID 63698976

IUPACN,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
SMILESCNC1CCC(C(C)C)CC1CN(C)CCCN(C)C
InChIInChI=1S/C17H37N3/c1-14(2)15-8-9-17(18-3)16(12-15)13-20(6)11-7-10-19(4)5/h14-18H,7-13H2,1-6H3
InChIKeyIPJGBPMXSNGDGL-UHFFFAOYSA-N
MW283.50 g/mol
LogP2.53
Rot. Bonds8

About N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine

N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine (PubChem CID 63698976) has the molecular formula C17H37N3 and a molecular weight of 283.50 g/mol. Its IUPAC name is N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
PubChem CID63698976
Molecular FormulaC17H37N3
Molecular Weight283.50 g/mol
Exact Mass283.30
IUPAC NameN,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine
SMILESCNC1CCC(C(C)C)CC1CN(C)CCCN(C)C
InChIInChI=1S/C17H37N3/c1-14(2)15-8-9-17(18-3)16(12-15)13-20(6)11-7-10-19(4)5/h14-18H,7-13H2,1-6H3
InChIKeyIPJGBPMXSNGDGL-UHFFFAOYSA-N
XLogP2.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.50
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine with MolForge

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Related Compounds

2-[(dimethylamino)methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62708303
2-[[2-methoxyethyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 62704719
N-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 79858757
2-N-[3-(dimethylamino)propyl]-1-N,2-N-dimethyl-4-propan-2-ylcyclohexane-1,2-diamine
CID 63694683
N-methyl-2-[[pentyl(propan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63495395
2-[[methyl(pentyl)amino]methyl]-4-propan-2-yl-N-propylcyclohexan-1-amine
CID 63482926
2-[[cyclohexyl(methyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63483970
N-methyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63965864
2-[cyclopropyl-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]amino]ethanol
CID 62708874
2-decyl-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63401640
N,4-dimethyl-2-[[methyl(pentyl)amino]methyl]cyclohexan-1-amine
CID 62615388
2-[[cyclopropylmethyl(ethyl)amino]methyl]-N-methyl-4-propan-2-ylcyclohexan-1-amine
CID 63957118

Frequently Asked Questions

What is the IUPAC name of N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine (CID 63698976) is N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine is CNC1CCC(C(C)C)CC1CN(C)CCCN(C)C.
What is the InChIKey of N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine?
The InChIKey is IPJGBPMXSNGDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37N3/c1-14(2)15-8-9-17(18-3)16(12-15)13-20(6)11-7-10-19(4)5/h14-18H,7-13H2,1-6H3.
What are the key properties of N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine?
N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine has a molecular weight of 283.50 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-trimethyl-N'-[[2-(methylamino)-5-propan-2-ylcyclohexyl]methyl]propane-1,3-diamine is sourced from PubChem (CID 63698976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).