1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

C13H20N2 — CID 115376953

IUPAC1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCC2CC2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-4-7-12(8-13(10)15(2)3)14-9-11-5-6-11/h4,7-8,11,14H,5-6,9H2,1-3H3
InChIKeyRQQMIVWTLUFLGR-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.88
Rot. Bonds4

About 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine

1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (PubChem CID 115376953) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.

Molecular Properties

Compound Name1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
PubChem CID115376953
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine
SMILESCc1ccc(NCC2CC2)cc1N(C)C
InChIInChI=1S/C13H20N2/c1-10-4-7-12(8-13(10)15(2)3)14-9-11-5-6-11/h4,7-8,11,14H,5-6,9H2,1-3H3
InChIKeyRQQMIVWTLUFLGR-UHFFFAOYSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-2-[3-(dimethylamino)-4-methylanilino]acetamide
CID 115378318
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
1-N-cyclooctyl-3-N,3-N,4-trimethylbenzene-1,3-diamine
CID 115376615
3-N,3-N,4-trimethyl-1-N-[3-(2,2,2-trifluoroethoxy)propyl]benzene-1,3-diamine
CID 115378143
3-N,3-N,4-trimethyl-1-N-(4-propylcycloheptyl)benzene-1,3-diamine
CID 115377235
3-N,3-N,4-trimethyl-1-N-[(2-methylphenyl)methyl]benzene-1,3-diamine
CID 115376609
2-[[3-(dimethylamino)-4-methylanilino]methyl]-2-methylpropane-1,3-diol
CID 113297783
5-(cycloheptylmethylamino)-2-methylphenol
CID 107699720
5-[(4-tert-butylcyclohexyl)methylamino]-2-methylphenol
CID 107700302
N-[(4-tert-butylcyclohexyl)methyl]-3-iodo-4-methylaniline
CID 104574906
N-(cyclopropylmethyl)-3-methylaniline
CID 43560243
1-N-[(4-aminocyclohexyl)methyl]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 59230186

Frequently Asked Questions

What is the IUPAC name of 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The IUPAC name of 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine (CID 115376953) is 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine.
What is the SMILES notation for 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The canonical SMILES for 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is Cc1ccc(NCC2CC2)cc1N(C)C.
What is the InChIKey of 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
The InChIKey is RQQMIVWTLUFLGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-4-7-12(8-13(10)15(2)3)14-9-11-5-6-11/h4,7-8,11,14H,5-6,9H2,1-3H3.
What are the key properties of 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine?
1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(cyclopropylmethyl)-3-N,3-N,4-trimethylbenzene-1,3-diamine is sourced from PubChem (CID 115376953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).