1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine

C17H36N2 — CID 79408724

IUPAC1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
SMILESCC1CCCC(N(C)C(C)C(C)CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-13-9-8-10-16(11-13)19(7)15(3)14(2)12-18-17(4,5)6/h13-16,18H,8-12H2,1-7H3
InChIKeyIMWPXLHJHUKVQO-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.91
Rot. Bonds5

About 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine

1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine (PubChem CID 79408724) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
PubChem CID79408724
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
SMILESCC1CCCC(N(C)C(C)C(C)CNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-13-9-8-10-16(11-13)19(7)15(3)14(2)12-18-17(4,5)6/h13-16,18H,8-12H2,1-7H3
InChIKeyIMWPXLHJHUKVQO-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine?
The IUPAC name of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine (CID 79408724) is 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine.
What is the SMILES notation for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine?
The canonical SMILES for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine is CC1CCCC(N(C)C(C)C(C)CNC(C)(C)C)C1.
What is the InChIKey of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine?
The InChIKey is IMWPXLHJHUKVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13-9-8-10-16(11-13)19(7)15(3)14(2)12-18-17(4,5)6/h13-16,18H,8-12H2,1-7H3.
What are the key properties of 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine?
1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine has a molecular weight of 268.49 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine is sourced from PubChem (CID 79408724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).