N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C18H38N2 — CID 106040900

IUPACN-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-15(2)20(6)14-8-13-19-17-10-7-9-16(11-12-17)18(3,4)5/h15-17,19H,7-14H2,1-6H3
InChIKeyGDLCWKIHZIEJPL-UHFFFAOYSA-N
MW282.52 g/mol
LogP4.30
Rot. Bonds6

About N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040900) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040900
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC NameN-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNC1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C18H38N2/c1-15(2)20(6)14-8-13-19-17-10-7-9-16(11-12-17)18(3,4)5/h15-17,19H,7-14H2,1-6H3
InChIKeyGDLCWKIHZIEJPL-UHFFFAOYSA-N
XLogP4.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-cyclopropylcyclohexyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776965
N-cyclohexyl-N'-(3,3-dimethylbutan-2-yl)-N'-methylpropane-1,3-diamine
CID 62568594
4-tert-butyl-N-(4,4,4-trifluorobutyl)cycloheptan-1-amine
CID 115516563
N-cyclopentyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 60850712
N-cyclooctyl-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634350
4-[4-[methyl(propan-2-yl)amino]butylamino]cyclohexan-1-ol
CID 106594550
4-tert-butyl-N-(2-ethylsulfonylethyl)cycloheptan-1-amine
CID 103826274
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
CID 65089746
4-(cyclopropylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]butane-1-sulfonamide
CID 106095136
5-[(4-tert-butylcyclohexyl)amino]pentan-1-ol
CID 107302888
4-tert-butyl-N-(3-methoxypropyl)cyclohexan-1-amine
CID 2846375
N'-methyl-N-[1-(2-methylpropyl)piperidin-4-yl]-N'-propan-2-ylpropane-1,3-diamine
CID 103776874

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106040900) is N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNC1CCCC(C(C)(C)C)CC1.
What is the InChIKey of N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is GDLCWKIHZIEJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2/c1-15(2)20(6)14-8-13-19-17-10-7-9-16(11-12-17)18(3,4)5/h15-17,19H,7-14H2,1-6H3.
What are the key properties of N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylcycloheptyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).