N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine

C18H32N2 — CID 65486366

IUPACN'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CCc1ccccc1
InChIInChI=1S/C18H32N2/c1-17(2)16-19-13-8-5-9-14-20(3)15-12-18-10-6-4-7-11-18/h4,6-7,10-11,17,19H,5,8-9,12-16H2,1-3H3
InChIKeySHRGTXPKGNBZOJ-UHFFFAOYSA-N
MW276.47 g/mol
LogP3.58
Rot. Bonds11

About N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine

N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine (PubChem CID 65486366) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
PubChem CID65486366
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CCc1ccccc1
InChIInChI=1S/C18H32N2/c1-17(2)16-19-13-8-5-9-14-20(3)15-12-18-10-6-4-7-11-18/h4,6-7,10-11,17,19H,5,8-9,12-16H2,1-3H3
InChIKeySHRGTXPKGNBZOJ-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 53.58
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-phenylethyl)-N-propan-2-ylbutane-1,4-diamine
CID 65486365
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
CID 79494543
N'-benzyl-N-(2-methylpropyl)-N'-propan-2-ylpentane-1,5-diamine
CID 62423460
N'-methyl-N-(2-methylpropyl)-2-phenyl-N'-(2-phenylethyl)-2-propan-2-ylpentane-1,5-diamine;dihydrochloride
CID 70500954
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N-(2-methoxyethyl)-N'-methyl-N'-(2-phenylethyl)propane-1,3-diamine
CID 65486266
N'-[(2-fluorophenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62435902
N'-[(4-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62435035
N'-[(3-methoxyphenyl)methyl]-N'-methyl-N-(2-methylpropyl)butane-1,4-diamine
CID 62412294
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
2-methyl-N-[3-(4-phenylphenyl)propyl]propan-1-amine
CID 65454764
N'-methyl-N'-[2-(2-methylphenyl)ethyl]-N-(2-methylpropyl)ethane-1,2-diamine
CID 113409285

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine (CID 65486366) is N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine is CC(C)CNCCCCCN(C)CCc1ccccc1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine?
The InChIKey is SHRGTXPKGNBZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-17(2)16-19-13-8-5-9-14-20(3)15-12-18-10-6-4-7-11-18/h4,6-7,10-11,17,19H,5,8-9,12-16H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine has a molecular weight of 276.47 g/mol, XLogP of 3.58, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine is sourced from PubChem (CID 65486366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).