N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine

C14H30N2 — CID 61387284

IUPACN-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,3)15-11-12-16(4)13-9-7-5-6-8-10-13/h13,15H,5-12H2,1-4H3
InChIKeyUFKDKVFKINNKQF-UHFFFAOYSA-N
MW226.41 g/mol
LogP3.03
Rot. Bonds4

About N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine

N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine (PubChem CID 61387284) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
PubChem CID61387284
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine
SMILESCN(CCNC(C)(C)C)C1CCCCCC1
InChIInChI=1S/C14H30N2/c1-14(2,3)15-11-12-16(4)13-9-7-5-6-8-10-13/h13,15H,5-12H2,1-4H3
InChIKeyUFKDKVFKINNKQF-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N'-cycloheptyl-N'-methylbutane-1,4-diamine
CID 62433849
N-tert-butyl-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
CID 61437708
3-(tert-butylamino)-N-[2-[cyclopentyl(methyl)amino]ethyl]propanamide
CID 63315852
N'-cyclohexyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine;hydrochloride
CID 115607501
N'-cyclopentyl-N-(2,2-dimethylpropyl)-N'-methylethane-1,2-diamine
CID 63318245
N-tert-butyl-N'-cyclopropyl-N'-methylpentane-1,5-diamine
CID 62418711
N-tert-butyl-N',N'-dicyclohexylpropane-1,3-diamine
CID 60851349
N,N'-dicyclopentyl-N'-methylethane-1,2-diamine
CID 60850716
N'-cycloheptyl-N,N'-dimethylpropane-1,3-diamine
CID 61387268
N'-cyclohexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62425000
N'-cyclohexyl-N-[2-[cyclohexyl(methyl)amino]ethyl]-N,N'-dimethylethane-1,2-diamine
CID 178121519
N-[[5-[(tert-butylamino)methyl]oxolan-2-yl]methyl]-N-methylcyclopentanamine
CID 62418705

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine (CID 61387284) is N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine is CN(CCNC(C)(C)C)C1CCCCCC1.
What is the InChIKey of N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
The InChIKey is UFKDKVFKINNKQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-14(2,3)15-11-12-16(4)13-9-7-5-6-8-10-13/h13,15H,5-12H2,1-4H3.
What are the key properties of N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine?
N-tert-butyl-N'-cycloheptyl-N'-methylethane-1,2-diamine has a molecular weight of 226.41 g/mol, XLogP of 3.03, 4 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'-methylethane-1,2-diamine is sourced from PubChem (CID 61387284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).