N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

C18H39N3 — CID 63699316

IUPACN'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H39N3/c1-17(2,3)19-15-18(11-8-7-9-12-18)16-21(6)14-10-13-20(4)5/h19H,7-16H2,1-6H3
InChIKeySQURYISQSUFNKP-UHFFFAOYSA-N
MW297.53 g/mol
LogP3.21
Rot. Bonds8

About N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63699316) has the molecular formula C18H39N3 and a molecular weight of 297.53 g/mol. Its IUPAC name is N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63699316
Molecular FormulaC18H39N3
Molecular Weight297.53 g/mol
Exact Mass297.31
IUPAC NameN'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCN(C)CCCN(C)CC1(CNC(C)(C)C)CCCCC1
InChIInChI=1S/C18H39N3/c1-17(2,3)19-15-18(11-8-7-9-12-18)16-21(6)14-10-13-20(4)5/h19H,7-16H2,1-6H3
InChIKeySQURYISQSUFNKP-UHFFFAOYSA-N
XLogP3.21
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.53
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N-methylbutan-1-amine
CID 55051857
2-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl-methylamino]ethanol
CID 62257930
2-methyl-N-[[1-[[methyl(2-methylsulfonylethyl)amino]methyl]cyclohexyl]methyl]propan-2-amine
CID 79842792
N'-[[1-(bromomethyl)cyclopentyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 65002615
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-ethyl-2-methylpropan-1-amine
CID 63482009
N-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N-methylbutan-2-amine
CID 62262894
N-[[1-[[benzyl(methyl)amino]methyl]cyclopentyl]methyl]-2-methylpropan-2-amine
CID 62262841
N-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl]-N,2-dimethylbutan-2-amine
CID 63964314
N-methyl-N-[[1-(methylaminomethyl)cyclohexyl]methyl]pentan-1-amine
CID 62264045
2-[[4-[(tert-butylamino)methyl]oxan-4-yl]methyl-methylamino]ethanol
CID 62390793
N'-[[1-(ethylaminomethyl)cyclopentyl]methyl]-N,N,N'-trimethylethane-1,2-diamine
CID 63699135
3-[[1-[(tert-butylamino)methyl]cyclopentyl]methyl-propan-2-ylamino]propan-1-ol
CID 62271713

Frequently Asked Questions

What is the IUPAC name of N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63699316) is N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is CN(C)CCCN(C)CC1(CNC(C)(C)C)CCCCC1.
What is the InChIKey of N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is SQURYISQSUFNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3/c1-17(2,3)19-15-18(11-8-7-9-12-18)16-21(6)14-10-13-20(4)5/h19H,7-16H2,1-6H3.
What are the key properties of N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 297.53 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[1-[(tert-butylamino)methyl]cyclohexyl]methyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63699316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).