N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine

C16H26N2 — CID 39349485

IUPACN'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CN(CCN)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)14-6-4-13(5-7-14)12-18(11-10-17)15-8-9-15/h4-7,15H,8-12,17H2,1-3H3
InChIKeyIDHLDOUNPKKTAZ-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.91
Rot. Bonds5

About N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine

N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine (PubChem CID 39349485) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
PubChem CID39349485
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine
SMILESCC(C)(C)c1ccc(CN(CCN)C2CC2)cc1
InChIInChI=1S/C16H26N2/c1-16(2,3)14-6-4-13(5-7-14)12-18(11-10-17)15-8-9-15/h4-7,15H,8-12,17H2,1-3H3
InChIKeyIDHLDOUNPKKTAZ-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclohexyl-N'-[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 63761871
N'-cyclobutyl-N'-[[4-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine
CID 102875025
N'-(2-aminoethyl)-N'-[(4-tert-butylphenyl)methyl]ethane-1,2-diamine
CID 62924012
N'-[(4-bromophenyl)methyl]-N'-cyclohexylethane-1,2-diamine
CID 39449548
4-N-[(4-tert-butylphenyl)methyl]-4-N-(2-ethylbutyl)cyclohexane-1,4-diamine
CID 23793066
N'-cyclobutyl-N'-[(3,4-dimethylphenyl)methyl]ethane-1,2-diamine
CID 102875205
2-amino-N-[(4-tert-butylphenyl)methyl]-N-cyclopropylacetamide
CID 39360756
4-[(4-aminophenyl)methyl-cyclopropylamino]-2-methylbutan-2-ol
CID 79356213
N'-benzyl-N'-(oxan-4-yl)ethane-1,2-diamine
CID 63937836
N'-cyclopropyl-N'-[(4-fluorophenyl)methyl]butane-1,4-diamine
CID 59862645
N-(2-chloroethyl)-N-[(4-chlorophenyl)methyl]cyclopropanamine
CID 63387371
N-[[4-(aminomethyl)phenyl]methyl]-N-benzylcyclopropanamine
CID 43575847

Frequently Asked Questions

What is the IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The IUPAC name of N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine (CID 39349485) is N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine.
What is the SMILES notation for N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The canonical SMILES for N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine is CC(C)(C)c1ccc(CN(CCN)C2CC2)cc1.
What is the InChIKey of N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
The InChIKey is IDHLDOUNPKKTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,3)14-6-4-13(5-7-14)12-18(11-10-17)15-8-9-15/h4-7,15H,8-12,17H2,1-3H3.
What are the key properties of N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine?
N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-tert-butylphenyl)methyl]-N'-cyclopropylethane-1,2-diamine is sourced from PubChem (CID 39349485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).