N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine

C15H26N2 — CID 65487888

IUPACN-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-14(2)16-11-13-17(3)12-10-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyNVOZYJGKOQCVQO-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.55
Rot. Bonds8

About N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine

N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine (PubChem CID 65487888) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
PubChem CID65487888
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
SMILESCCC(C)NCCN(C)CCc1ccccc1
InChIInChI=1S/C15H26N2/c1-4-14(2)16-11-13-17(3)12-10-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3
InChIKeyNVOZYJGKOQCVQO-UHFFFAOYSA-N
XLogP2.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N-butan-2-yl-N'-methyl-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70496642
1-N,1-N,4-N,4-N-tetramethyl-2-N-[2-[methyl(2-phenylethyl)amino]ethyl]butane-1,2,4-triamine
CID 122628409
1-N,2-N-dimethyl-1-N-(2-phenylethyl)propane-1,2-diamine
CID 20979710
2-N-ethyl-1-N-methyl-1-N-(2-phenylethyl)butane-1,2-diamine
CID 65487022
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
4-[2-(butan-2-ylamino)ethyl]-N,N-dimethylaniline
CID 115715577
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
3-ethyl-N-(2-phenylethyl)pentan-2-amine
CID 63844116
1-methyl-1-(2-phenylethyl)-2-[(2R)-1-phenylpropan-2-yl]hydrazine
CID 91204364

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The IUPAC name of N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine (CID 65487888) is N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The canonical SMILES for N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine is CCC(C)NCCN(C)CCc1ccccc1.
What is the InChIKey of N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
The InChIKey is NVOZYJGKOQCVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-4-14(2)16-11-13-17(3)12-10-15-8-6-5-7-9-15/h5-9,14,16H,4,10-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine?
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine is sourced from PubChem (CID 65487888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).