N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine

C16H28N2 — CID 65486365

IUPACN'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
SMILESCC(C)NCCCCN(C)CCc1ccccc1
InChIInChI=1S/C16H28N2/c1-15(2)17-12-7-8-13-18(3)14-11-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3
InChIKeyDTDVNZCTCBHZHN-UHFFFAOYSA-N
MW248.41 g/mol
LogP2.94
Rot. Bonds9

About N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine

N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine (PubChem CID 65486365) has the molecular formula C16H28N2 and a molecular weight of 248.41 g/mol. Its IUPAC name is N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine.

Molecular Properties

Compound NameN'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
PubChem CID65486365
Molecular FormulaC16H28N2
Molecular Weight248.41 g/mol
Exact Mass248.23
IUPAC NameN'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
SMILESCC(C)NCCCCN(C)CCc1ccccc1
InChIInChI=1S/C16H28N2/c1-15(2)17-12-7-8-13-18(3)14-11-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3
InChIKeyDTDVNZCTCBHZHN-UHFFFAOYSA-N
XLogP2.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
N-butan-2-yl-N'-methyl-N'-(2-phenylethyl)ethane-1,2-diamine
CID 65487888
2-[[methyl-[3-(propan-2-ylamino)propyl]sulfamoyl]amino]ethylbenzene
CID 106060187
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61412231
N'-[(2-chlorophenyl)methyl]-N'-methyl-N-propan-2-ylbutane-1,4-diamine
CID 61417488
N-(8-phenyloctyl)-N'-propan-2-ylethane-1,2-diamine
CID 58814792
1-N-methyl-1-N-(2-phenylethyl)butane-1,3-diamine
CID 65488739
(2S)-2-benzyl-N,3-dimethyl-N-[5-(propan-2-ylamino)pentyl]butanamide
CID 157342075
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-propan-2-ylethane-1,2-diamine
CID 113409141
3-[methyl(2-phenylethyl)amino]propane-1-sulfonic acid
CID 87177450

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine?
The IUPAC name of N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine (CID 65486365) is N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine.
What is the SMILES notation for N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine?
The canonical SMILES for N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine is CC(C)NCCCCN(C)CCc1ccccc1.
What is the InChIKey of N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine?
The InChIKey is DTDVNZCTCBHZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2/c1-15(2)17-12-7-8-13-18(3)14-11-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3.
What are the key properties of N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine?
N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine has a molecular weight of 248.41 g/mol, XLogP of 2.94, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-(2-phenylethyl)-N-propan-2-ylbutane-1,4-diamine is sourced from PubChem (CID 65486365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).