N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine

C17H28N2 — CID 62977565

IUPACN'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
SMILESCC(C)CC(NCCN(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-11-12-19(3)16-9-10-16/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyCFUCRJHFDITTID-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds8

About N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine

N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine (PubChem CID 62977565) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
PubChem CID62977565
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine
SMILESCC(C)CC(NCCN(C)C1CC1)c1ccccc1
InChIInChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-11-12-19(3)16-9-10-16/h4-8,14,16-18H,9-13H2,1-3H3
InChIKeyCFUCRJHFDITTID-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 ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-N'-methyl-N-(1-phenylethyl)ethane-1,2-diamine
CID 62975342
3-methyl-N-(2-methylsulfanylethyl)-1-phenylbutan-1-amine
CID 60697526
3-methyl-N-[(2-methylcyclohexyl)methyl]-1-phenylbutan-1-amine
CID 63453789
1,1-dimethyl-3-[2-[(3-methyl-1-phenylbutyl)amino]ethyl]urea
CID 83117113
N'-cyclopropyl-N'-ethyl-N-(1-phenylbutyl)ethane-1,2-diamine
CID 103780383
N'-cyclopropyl-N'-methyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 62975730
2-N,2-N,2-trimethyl-1-N-(3-methyl-1-phenylbutyl)propane-1,2-diamine
CID 43100072
3-methyl-N-(2-methylsulfonylethyl)-1-phenylbutan-1-amine
CID 60714061
2,6-dimethyl-N-(3-methyl-1-phenylbutyl)heptan-4-amine
CID 63438592
3-methyl-N-(3-methyl-1-phenylbutyl)-2-propan-2-ylbutan-1-amine
CID 102904029
1-[(3-methyl-1-phenylbutyl)amino]propan-2-ol
CID 43499366
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N'-cyclopropyl-N'-methylethane-1,2-diamine
CID 62976259

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine (CID 62977565) is N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine is CC(C)CC(NCCN(C)C1CC1)c1ccccc1.
What is the InChIKey of N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine?
The InChIKey is CFUCRJHFDITTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14(2)13-17(15-7-5-4-6-8-15)18-11-12-19(3)16-9-10-16/h4-8,14,16-18H,9-13H2,1-3H3.
What are the key properties of N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine?
N'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine has a molecular weight of 260.43 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'-cyclopropyl-N'-methyl-N-(3-methyl-1-phenylbutyl)ethane-1,2-diamine is sourced from PubChem (CID 62977565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).