N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

C16H26N2 — CID 79984527

IUPACN'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1cccc(C2CC2)c1)CC(C)(C)CN
InChIInChI=1S/C16H26N2/c1-16(2,11-17)12-18(3)10-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14H,7-8,10-12,17H2,1-3H3
InChIKeyITPNADJLAISQHY-UHFFFAOYSA-N
MW246.40 g/mol
LogP2.98
Rot. Bonds6

About N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine

N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (PubChem CID 79984527) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
PubChem CID79984527
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
SMILESCN(Cc1cccc(C2CC2)c1)CC(C)(C)CN
InChIInChI=1S/C16H26N2/c1-16(2,11-17)12-18(3)10-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14H,7-8,10-12,17H2,1-3H3
InChIKeyITPNADJLAISQHY-UHFFFAOYSA-N
XLogP2.98
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N',2,2-trimethylpropane-1,3-diamine
CID 62262842
N'-benzyl-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928986
N',2,2-trimethyl-N'-[[3-(trifluoromethyl)phenyl]methyl]propane-1,3-diamine;hydrochloride
CID 119928729
2-(3-cyclopropylphenyl)ethanamine
CID 79983898
2-(3-cyclopropylphenyl)-2-methylpropan-1-amine
CID 155943933
N'-[(2,6-dichlorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 79645596
2-methyl-1-[3-(4-methylcyclohexyl)phenyl]propan-2-amine
CID 117366374
N'-[(3-chloro-4-fluorophenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine
CID 81155297
N-[(3-cyclopropylphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 79984146
1-N-[(3-bromophenyl)methyl]-2-cyclopropyl-1-N-methylpropane-1,2-diamine
CID 61416171
2,2-dimethyl-3-[methyl-[(3-methylphenyl)methyl]amino]propan-1-ol
CID 62266896
N'-[(3-chlorophenyl)methyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247254

Frequently Asked Questions

What is the IUPAC name of N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine (CID 79984527) is N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is CN(Cc1cccc(C2CC2)c1)CC(C)(C)CN.
What is the InChIKey of N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
The InChIKey is ITPNADJLAISQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-16(2,11-17)12-18(3)10-13-5-4-6-15(9-13)14-7-8-14/h4-6,9,14H,7-8,10-12,17H2,1-3H3.
What are the key properties of N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine?
N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine has a molecular weight of 246.40 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-cyclopropylphenyl)methyl]-N',2,2-trimethylpropane-1,3-diamine is sourced from PubChem (CID 79984527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).