N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine

C18H28N2 — CID 107397877

IUPACN-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H28N2/c1-2-20(13-14-5-3-6-14)18(12-19)17-8-4-7-16(11-17)15-9-10-15/h4,7-8,11,14-15,18H,2-3,5-6,9-10,12-13,19H2,1H3
InChIKeyQLBMVGAVCYKAIE-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.69
Rot. Bonds7

About N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine

N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine (PubChem CID 107397877) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
PubChem CID107397877
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine
SMILESCCN(CC1CCC1)C(CN)c1cccc(C2CC2)c1
InChIInChI=1S/C18H28N2/c1-2-20(13-14-5-3-6-14)18(12-19)17-8-4-7-16(11-17)15-9-10-15/h4,7-8,11,14-15,18H,2-3,5-6,9-10,12-13,19H2,1H3
InChIKeyQLBMVGAVCYKAIE-UHFFFAOYSA-N
XLogP3.69
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-cyclopropylphenyl)-N-ethyl-N-(2-methoxyethyl)ethane-1,2-diamine
CID 79984565
N-(cyclopropylmethyl)-1-(4-cyclopropylphenyl)-N-ethylethane-1,2-diamine
CID 79984493
1-(3-cyclopropylphenyl)-N,N-dimethylethane-1,2-diamine
CID 79984483
1-(3-cyclopropylphenyl)-N,N-bis(2-methoxyethyl)ethane-1,2-diamine
CID 79969343
N-(cyclobutylmethyl)-N-ethyl-1-(furan-3-yl)ethane-1,2-diamine
CID 107397834
1-(3-cyclopropylphenyl)-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 79968542
2-N-[2-amino-1-(3-cyclopropylphenyl)ethyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188232
N-(cyclobutylmethyl)-1-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylethane-1,2-diamine
CID 107397635
1-(3-chloro-4-methoxyphenyl)-N-(cyclobutylmethyl)-N-ethylethane-1,2-diamine
CID 107397774
N-(cyclobutylmethyl)-N-ethyl-1-(2-fluorophenyl)ethane-1,2-diamine
CID 107397363
ethyl 3-(3-cyclopropylphenyl)-3-(diethylamino)propanoate
CID 79971907
N-(cyclobutylmethyl)-N-ethyl-1-(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 107397656

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The IUPAC name of N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine (CID 107397877) is N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine is CCN(CC1CCC1)C(CN)c1cccc(C2CC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
The InChIKey is QLBMVGAVCYKAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-20(13-14-5-3-6-14)18(12-19)17-8-4-7-16(11-17)15-9-10-15/h4,7-8,11,14-15,18H,2-3,5-6,9-10,12-13,19H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine?
N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(3-cyclopropylphenyl)-N-ethylethane-1,2-diamine is sourced from PubChem (CID 107397877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).