N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

C16H26N2 — CID 62420532

IUPACN-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(C1CC1)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(15-10-11-15)16(12-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12H2,1-3H3
InChIKeyJEWPHNLHEUBVGD-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.21
Rot. Bonds7

About N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine

N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (PubChem CID 62420532) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
PubChem CID62420532
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
SMILESCCN(C1CC1)C(CNC(C)C)c1ccccc1
InChIInChI=1S/C16H26N2/c1-4-18(15-10-11-15)16(12-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12H2,1-3H3
InChIKeyJEWPHNLHEUBVGD-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopentyl-N-methyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62417209
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N-methyl-N-(oxolan-3-yl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 82754002
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43192161
N-butyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62424987
3-[cyclohexyl(ethyl)amino]-3-phenylpropanoic acid
CID 63074052
1-phenyl-N'-propan-2-yl-N,N-bis(prop-2-enyl)ethane-1,2-diamine
CID 62439187
N-ethyl-N-(3-methyl-1-phenylbutyl)pyrrolidin-3-amine
CID 63299236
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 78989643
2-N-cyclopropyl-2-N-ethyl-3-methyl-1-N-propan-2-ylbutane-1,2-diamine
CID 62422016
2-N-cyclopropyl-2-N-methyl-1-N-(1-phenylpropyl)propane-1,2-diamine
CID 103781587
N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 63274242

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine (CID 62420532) is N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is CCN(C1CC1)C(CNC(C)C)c1ccccc1.
What is the InChIKey of N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
The InChIKey is JEWPHNLHEUBVGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(15-10-11-15)16(12-17-13(2)3)14-8-6-5-7-9-14/h5-9,13,15-17H,4,10-12H2,1-3H3.
What are the key properties of N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine?
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine is sourced from PubChem (CID 62420532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).