N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine

C16H26N2 — CID 115206884

IUPACN-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1N(C)CCNC1CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-5-13(3)16(11-14)18(4)10-9-17-15-7-8-15/h5-6,11-12,15,17H,7-10H2,1-4H3
InChIKeyJNYXYIGNPKGXCV-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.31
Rot. Bonds6

About N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine

N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine (PubChem CID 115206884) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
PubChem CID115206884
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(C)C)cc1N(C)CCNC1CC1
InChIInChI=1S/C16H26N2/c1-12(2)14-6-5-13(3)16(11-14)18(4)10-9-17-15-7-8-15/h5-6,11-12,15,17H,7-10H2,1-4H3
InChIKeyJNYXYIGNPKGXCV-UHFFFAOYSA-N
XLogP3.31
TPSA15.27 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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N'-methyl-N'-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 115206920
N-(chloromethyl)-N,2-dimethyl-5-propan-2-ylaniline
CID 115262883
N-cyclopropyl-N'-(4-methoxy-2,5-dimethylphenyl)-N'-methylethane-1,2-diamine
CID 115206845
1-N,4-dimethyl-1-N-(2-methyl-5-propan-2-ylphenyl)pentane-1,4-diamine
CID 115205259
2-(N,2-dimethyl-5-propan-2-ylanilino)acetonitrile
CID 115130881
N-[2-(2-methyl-5-propan-2-ylphenyl)ethyl]cyclopentanamine
CID 96662680
N'-(5-chloro-2-methoxy-3-methylphenyl)-N-cyclopropyl-N'-methylethane-1,2-diamine
CID 115206873
[1-[(N,2-dimethyl-5-propan-2-ylanilino)methyl]cyclopropyl]methanol
CID 115243384
N,2-dimethyl-N-(morpholin-2-ylmethyl)-5-propan-2-ylaniline
CID 115237568
N-cyclopropyl-N'-(2,4-dimethylphenyl)-N'-methylpentane-1,5-diamine
CID 62434960
N-cyclopropyl-N'-methyl-N'-(2-methylsulfonylphenyl)ethane-1,2-diamine
CID 62587825
N-cyclopropyl-N'-(3,4-difluorophenyl)-N'-methylethane-1,2-diamine
CID 115206849

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine (CID 115206884) is N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine is Cc1ccc(C(C)C)cc1N(C)CCNC1CC1.
What is the InChIKey of N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
The InChIKey is JNYXYIGNPKGXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12(2)14-6-5-13(3)16(11-14)18(4)10-9-17-15-7-8-15/h5-6,11-12,15,17H,7-10H2,1-4H3.
What are the key properties of N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine?
N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-methyl-N'-(2-methyl-5-propan-2-ylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 115206884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).