N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

C19H30N2 — CID 78989643

IUPACN,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)12-13-21(18-10-11-18)19(14-20-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3
InChIKeyYKURTXYVLOWGAW-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.99
Rot. Bonds9

About N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine

N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (PubChem CID 78989643) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
PubChem CID78989643
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
SMILESCC(C)CCN(C1CC1)C(CNC1CC1)c1ccccc1
InChIInChI=1S/C19H30N2/c1-15(2)12-13-21(18-10-11-18)19(14-20-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3
InChIKeyYKURTXYVLOWGAW-UHFFFAOYSA-N
XLogP3.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(3-methylbutyl)amino]-3-phenylpropanoic acid
CID 78924050
N'-cyclopropyl-N-ethyl-N-(2-methylpropyl)-1-phenylethane-1,2-diamine
CID 62422186
2-[cyclopropyl(3-methylbutyl)amino]-2-phenylacetic acid
CID 78974311
N-butyl-N'-cyclopropyl-N-methyl-1-phenylethane-1,2-diamine
CID 62424766
N-butyl-N'-cyclopropyl-N-ethyl-1-phenylethane-1,2-diamine
CID 55069938
N'-cyclopropyl-N-methyl-N-(2-methylbutan-2-yl)-1-phenylethane-1,2-diamine
CID 63964134
N-cyclopropyl-N-ethyl-1-phenyl-N'-propan-2-ylethane-1,2-diamine
CID 62420532
N-(2-phenylpropyl)cyclopropanamine;hydrochloride
CID 17158330
1-N,2-N-dicyclopropyl-3-methoxy-2-N-(3-methylbutyl)propane-1,2-diamine
CID 103225017
N'-cyclohexyl-N,N-diethyl-1-phenylethane-1,2-diamine
CID 43081728
N-cyclopropyl-1-(4-cyclopropylphenyl)-N-(3-methylbutyl)ethane-1,2-diamine
CID 79969641
N,N'-dimethyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine
CID 62462209

Frequently Asked Questions

What is the IUPAC name of N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The IUPAC name of N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine (CID 78989643) is N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine.
What is the SMILES notation for N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The canonical SMILES for N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is CC(C)CCN(C1CC1)C(CNC1CC1)c1ccccc1.
What is the InChIKey of N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
The InChIKey is YKURTXYVLOWGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)12-13-21(18-10-11-18)19(14-20-17-8-9-17)16-6-4-3-5-7-16/h3-7,15,17-20H,8-14H2,1-2H3.
What are the key properties of N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine?
N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine has a molecular weight of 286.46 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclopropyl-N-(3-methylbutyl)-1-phenylethane-1,2-diamine is sourced from PubChem (CID 78989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).