N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine

C17H26N2 — CID 79984493

IUPACN-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-19(12-13-3-4-13)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,2-6,11-12,18H2,1H3
InChIKeyCUQYRGOZEXLMCP-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.30
Rot. Bonds7

About N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine

N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine (PubChem CID 79984493) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
PubChem CID79984493
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CC1)C(CN)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H26N2/c1-2-19(12-13-3-4-13)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,2-6,11-12,18H2,1H3
InChIKeyCUQYRGOZEXLMCP-UHFFFAOYSA-N
XLogP3.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[2-amino-1-(4-cyclopropylphenyl)ethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991833
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 107397877
1-(3-bromo-4-chlorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 83230033
1-(4-chloro-3-fluorophenyl)-N-(cyclopropylmethyl)-N-ethylethane-1,2-diamine
CID 63955133
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
1-(4-cyclopropylphenyl)-N-ethyl-N-(1-methoxypropan-2-yl)ethane-1,2-diamine
CID 79984792
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
N-(cyclopropylmethyl)-1-(4-propan-2-yloxyphenyl)-N-propylethane-1,2-diamine
CID 61440569
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
N-(cyclopropylmethyl)-1-(4-ethylphenyl)-N-methylethane-1,2-diamine
CID 54883872
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 79968413

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine (CID 79984493) is N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine is CCN(CC1CC1)C(CN)c1ccc(C2CC2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is CUQYRGOZEXLMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-2-19(12-13-3-4-13)17(11-18)16-9-7-15(8-10-16)14-5-6-14/h7-10,13-14,17H,2-6,11-12,18H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 258.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 79984493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).