1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C18H29N3 — CID 79968413

IUPAC1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-9-17(10-12-20)21(2)18(13-19)16-7-5-15(6-8-16)14-3-4-14/h5-8,14,17-18H,3-4,9-13,19H2,1-2H3
InChIKeyZMYXBJGUUCLFBL-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.59
Rot. Bonds5

About 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine

1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 79968413) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID79968413
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCN1CCC(N(C)C(CN)c2ccc(C3CC3)cc2)CC1
InChIInChI=1S/C18H29N3/c1-20-11-9-17(10-12-20)21(2)18(13-19)16-7-5-15(6-8-16)14-3-4-14/h5-8,14,17-18H,3-4,9-13,19H2,1-2H3
InChIKeyZMYXBJGUUCLFBL-UHFFFAOYSA-N
XLogP2.59
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(1-methylpiperidin-4-yl)-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 43089504
4-[2-amino-1-[methyl-(1-methylpiperidin-4-yl)amino]ethyl]benzene-1,2-diol
CID 16789742
N-methyl-N-(1-methylpiperidin-4-yl)-1-(3,4,5-trifluorophenyl)ethane-1,2-diamine
CID 63050917
N-cyclopropyl-N-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 43264750
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 79984037
1-(5-bromofuran-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine
CID 16783175
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
1-(4-chlorophenyl)-N-cyclopentyl-N-methylethane-1,2-diamine
CID 43267005
N-cyclopentyl-1-[4-(difluoromethyl)phenyl]-N-methylethane-1,2-diamine
CID 115524228
N-methyl-N-(1-methylpiperidin-3-yl)-1-phenylethane-1,2-diamine
CID 62546739
1-(4-cyclopropylphenyl)-N-methyl-N-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 112658234
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 79968413) is 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CN1CCC(N(C)C(CN)c2ccc(C3CC3)cc2)CC1.
What is the InChIKey of 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is ZMYXBJGUUCLFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-20-11-9-17(10-12-20)21(2)18(13-19)16-7-5-15(6-8-16)14-3-4-14/h5-8,14,17-18H,3-4,9-13,19H2,1-2H3.
What are the key properties of 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 287.45 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylphenyl)-N-methyl-N-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 79968413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).