1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine

C17H36N2 — CID 62428982

IUPAC1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine
SMILESCC1CCCC(N(C)C(C)CCCNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-14-9-7-11-16(13-14)19(6)15(2)10-8-12-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyNKMNFGZSOMAIFX-UHFFFAOYSA-N
MW268.49 g/mol
LogP4.05
Rot. Bonds6

About 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine

1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine (PubChem CID 62428982) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine.

Molecular Properties

Compound Name1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine
PubChem CID62428982
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC Name1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine
SMILESCC1CCCC(N(C)C(C)CCCNC(C)(C)C)C1
InChIInChI=1S/C17H36N2/c1-14-9-7-11-16(13-14)19(6)15(2)10-8-12-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3
InChIKeyNKMNFGZSOMAIFX-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 54.05
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

1-N-tert-butyl-3-N,2-dimethyl-3-N-(3-methylcyclohexyl)butane-1,3-diamine
CID 79408724
1-N-tert-butyl-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 63864384
1-N-tert-butyl-4-N-methyl-4-N-propan-2-ylpentane-1,4-diamine
CID 62423187
2-amino-2-methyl-4-[methyl-(3-methylcyclohexyl)amino]pentanamide
CID 64709478
2-N-methyl-2-N-(3-methylcyclohexyl)-1-N-propan-2-ylpentane-1,2-diamine
CID 83054287
N-tert-butyl-N',2,2-trimethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
CID 62258323
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
1-N-tert-butyl-4-N,4-N-bis(2-methylpropyl)pentane-1,4-diamine
CID 62426971
2-N-methyl-2-N-(3-methylcyclopentyl)propane-1,2-diamine
CID 130993951
N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N-tert-butyl-4-(3-methylpyrrolidin-1-yl)pentan-1-amine
CID 62426058
2-[methyl-(3-methylcyclohexyl)amino]pentanoic acid
CID 83040975

Frequently Asked Questions

What is the IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine?
The IUPAC name of 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine (CID 62428982) is 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine.
What is the SMILES notation for 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine?
The canonical SMILES for 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine is CC1CCCC(N(C)C(C)CCCNC(C)(C)C)C1.
What is the InChIKey of 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine?
The InChIKey is NKMNFGZSOMAIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-14-9-7-11-16(13-14)19(6)15(2)10-8-12-18-17(3,4)5/h14-16,18H,7-13H2,1-6H3.
What are the key properties of 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine?
1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine has a molecular weight of 268.49 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-tert-butyl-4-N-methyl-4-N-(3-methylcyclohexyl)pentane-1,4-diamine is sourced from PubChem (CID 62428982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).