N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine

C17H28N2 — CID 55001111

IUPACN-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C)c(C(CN)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C17H28N2/c1-12(2)19(11-15-7-8-15)17(10-18)16-9-13(3)5-6-14(16)4/h5-6,9,12,15,17H,7-8,10-11,18H2,1-4H3
InChIKeyBOKIMQZHDOUQTF-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.42
Rot. Bonds6

About N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine (PubChem CID 55001111) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
PubChem CID55001111
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
SMILESCc1ccc(C)c(C(CN)N(CC2CC2)C(C)C)c1
InChIInChI=1S/C17H28N2/c1-12(2)19(11-15-7-8-15)17(10-18)16-9-13(3)5-6-14(16)4/h5-6,9,12,15,17H,7-8,10-11,18H2,1-4H3
InChIKeyBOKIMQZHDOUQTF-UHFFFAOYSA-N
XLogP3.42
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-1-(3,4-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine
CID 55001014
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
N-(cyclopropylmethyl)-1-(3,5-difluorophenyl)-N-propan-2-ylethane-1,2-diamine
CID 106528593
N-(cyclopropylmethyl)-1-[3-(difluoromethyl)phenyl]-N-propan-2-ylethane-1,2-diamine
CID 115526841
N-(cyclopropylmethyl)-1-(6-methyl-3-pyridinyl)-N-propan-2-ylethane-1,2-diamine
CID 113457090
2-(1-chloro-2-cyclopropylethyl)-1,4-dimethylbenzene
CID 63433985
N-(cyclopropylmethyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-propan-2-ylethane-1,2-diamine
CID 112669360
1-(4-chlorothiophen-2-yl)-N-(cyclopropylmethyl)-N-propan-2-ylethane-1,2-diamine
CID 79428176
N-[1-(2,4-dimethylphenyl)ethyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698904
1-(2,5-dimethylphenyl)-N-ethyl-N-(2-methylbutyl)ethane-1,2-diamine
CID 79477292
N-(cyclopropylmethyl)-1-(1-methyl-2,3-dihydroindol-5-yl)-N-propan-2-ylethane-1,2-diamine
CID 62095329
N-cyclopropyl-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 62070690

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine (CID 55001111) is N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine is Cc1ccc(C)c(C(CN)N(CC2CC2)C(C)C)c1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
The InChIKey is BOKIMQZHDOUQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-12(2)19(11-15-7-8-15)17(10-18)16-9-13(3)5-6-14(16)4/h5-6,9,12,15,17H,7-8,10-11,18H2,1-4H3.
What are the key properties of N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(2,5-dimethylphenyl)-N-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 55001111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).