N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine

C16H34N2 — CID 62433849

IUPACN-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-16(2,3)17-13-9-10-14-18(4)15-11-7-5-6-8-12-15/h15,17H,5-14H2,1-4H3
InChIKeyPEPVISGELIKNND-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.81
Rot. Bonds6

About N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine

N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine (PubChem CID 62433849) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
PubChem CID62433849
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
SMILESCN(CCCCNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C16H34N2/c1-16(2,3)17-13-9-10-14-18(4)15-11-7-5-6-8-12-15/h15,17H,5-14H2,1-4H3
InChIKeyPEPVISGELIKNND-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.81
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-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
CID 61387284
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)butane-1,4-diamine
CID 82754356
N-(5,5-dimethylhexyl)-N-methylcyclopentanamine
CID 170541802
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N-tert-butyl-N'-methyl-N'-(oxolan-3-yl)propane-1,3-diamine
CID 82735583
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437708
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
N-(5-bromopentyl)-N-methylcyclohexanamine
CID 14089133
N-(6-chlorohexyl)-N-methylcycloheptanamine
CID 62228773

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine?
The IUPAC name of N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine (CID 62433849) is N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine.
What is the SMILES notation for N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine?
The canonical SMILES for N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine is CN(CCCCNC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine?
The InChIKey is PEPVISGELIKNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-16(2,3)17-13-9-10-14-18(4)15-11-7-5-6-8-12-15/h15,17H,5-14H2,1-4H3.
What are the key properties of N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine?
N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine has a molecular weight of 254.46 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine is sourced from PubChem (CID 62433849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).