N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine

C11H24N2 — CID 79257227

IUPACN'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCC1CC1
InChIInChI=1S/C11H24N2/c1-11(2,3)13-9-8-12-7-6-10-4-5-10/h10,12-13H,4-9H2,1-3H3
InChIKeyBAYVXTZBAIEQII-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.76
Rot. Bonds6

About N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine

N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine (PubChem CID 79257227) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
PubChem CID79257227
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC NameN'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine
SMILESCC(C)(C)NCCNCCC1CC1
InChIInChI=1S/C11H24N2/c1-11(2,3)13-9-8-12-7-6-10-4-5-10/h10,12-13H,4-9H2,1-3H3
InChIKeyBAYVXTZBAIEQII-UHFFFAOYSA-N
XLogP1.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-tert-butyl-N-[2-(3-ethoxycyclobutyl)ethyl]ethane-1,2-diamine
CID 103163452
N-tert-butyl-4-[2-(tert-butylamino)ethyl]cyclohexan-1-amine
CID 121476891
N'-tert-butyl-N-(3,3-dimethylbutyl)ethane-1,2-diamine
CID 88899076
N-tert-butyl-4-(4-tert-butylcyclohexyl)butan-1-amine
CID 104575984
N-(2-cyclopropylethyl)-3-methylpentan-3-amine
CID 103746662
2-cyclopropyl-N-(2-propylsulfonylethyl)ethanamine
CID 106723908
N'-tert-butyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 54806858
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N-(2-cyclopropylethyl)-3-fluoropropan-1-amine
CID 81106705
copper;N,N'-ditert-butylethane-1,2-diamine;dibromide
CID 160892423
N-tert-butyl-3,3-dimethyl-4-(oxan-4-yl)butan-1-amine
CID 81033927
N-ethyl-2-[4-(methoxymethyl)cyclohexyl]ethanamine
CID 163663067

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The IUPAC name of N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine (CID 79257227) is N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine is CC(C)(C)NCCNCCC1CC1.
What is the InChIKey of N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine?
The InChIKey is BAYVXTZBAIEQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-11(2,3)13-9-8-12-7-6-10-4-5-10/h10,12-13H,4-9H2,1-3H3.
What are the key properties of N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine?
N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N-(2-cyclopropylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79257227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).