N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine

C17H28N2 — CID 43192161

IUPACN'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(5-2)17(16-9-7-6-8-10-16)13-18-14(3)15-11-12-15/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3
InChIKeyIMVVZGVJYLLCCZ-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.46
Rot. Bonds8

About N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine

N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine (PubChem CID 43192161) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
PubChem CID43192161
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine
SMILESCCN(CC)C(CNC(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-4-19(5-2)17(16-9-7-6-8-10-16)13-18-14(3)15-11-12-15/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3
InChIKeyIMVVZGVJYLLCCZ-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclopropylethyl)-2-phenylbutan-1-amine
CID 115676258
N'-but-3-yn-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 113482426
N'-but-3-en-2-yl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 107906481
N,N-diethyl-N'-methyl-1-phenylethane-1,2-diamine
CID 43180194
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N-ethyl-N-(2-methylpropyl)-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62422185
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
N-[(1S)-1-cyclopentylethyl]-3-methyl-2-phenylbutan-1-amine
CID 107876302
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
N-[1-(oxan-4-yl)ethyl]-2-phenylpropan-1-amine
CID 113259795
2-[[(1R)-1-cyclohexylethyl]amino]-1-phenylethanol
CID 81386513
N-(1-cyclohexylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876129

Frequently Asked Questions

What is the IUPAC name of N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine?
The IUPAC name of N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine (CID 43192161) is N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine.
What is the SMILES notation for N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine?
The canonical SMILES for N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine is CCN(CC)C(CNC(C)C1CC1)c1ccccc1.
What is the InChIKey of N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine?
The InChIKey is IMVVZGVJYLLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(5-2)17(16-9-7-6-8-10-16)13-18-14(3)15-11-12-15/h6-10,14-15,17-18H,4-5,11-13H2,1-3H3.
What are the key properties of N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine?
N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-cyclopropylethyl)-N,N-diethyl-1-phenylethane-1,2-diamine is sourced from PubChem (CID 43192161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).