N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine

C15H32N2 — CID 63865609

IUPACN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CC1C
InChIInChI=1S/C15H32N2/c1-13(2)11-16-8-6-5-7-9-17(4)12-15-10-14(15)3/h13-16H,5-12H2,1-4H3
InChIKeyHMUTVSHOJDSOJA-UHFFFAOYSA-N
MW240.43 g/mol
LogP2.99
Rot. Bonds10

About N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine

N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine (PubChem CID 63865609) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
PubChem CID63865609
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine
SMILESCC(C)CNCCCCCN(C)CC1CC1C
InChIInChI=1S/C15H32N2/c1-13(2)11-16-8-6-5-7-9-17(4)12-15-10-14(15)3/h13-16H,5-12H2,1-4H3
InChIKeyHMUTVSHOJDSOJA-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 52.99
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'-(cyclobutylmethyl)-N'-methyl-N-(2-methylpropyl)pentane-1,5-diamine
CID 62854578
N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]propane-1,3-diamine
CID 63865857
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-ylmethyl)pentane-1,5-diamine
CID 63706666
N'-methyl-N,N'-bis(2-methylpropyl)butane-1,4-diamine
CID 62422401
N'-methyl-N'-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 63877714
6-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]hexan-1-amine
CID 63866253
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
CID 63880126
N'-methyl-N-(2-methylpropyl)-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 62429589
N'-methyl-N-(2-methylpropyl)-N'-nonylethane-1,2-diamine
CID 63527329
N'-hexyl-N'-methyl-N-(2-methylpropyl)ethane-1,2-diamine
CID 62591894
N-(2-methylpropyl)-N'-pentyl-N'-propan-2-ylpentane-1,5-diamine
CID 62462345
ethane;N-methyl-N-[(2-methylcyclopropyl)methyl]butan-1-amine
CID 145095631

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine?
The IUPAC name of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine (CID 63865609) is N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine.
What is the SMILES notation for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine?
The canonical SMILES for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine is CC(C)CNCCCCCN(C)CC1CC1C.
What is the InChIKey of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine?
The InChIKey is HMUTVSHOJDSOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-13(2)11-16-8-6-5-7-9-17(4)12-15-10-14(15)3/h13-16H,5-12H2,1-4H3.
What are the key properties of N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine?
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine has a molecular weight of 240.43 g/mol, XLogP of 2.99, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(2-methylcyclopropyl)methyl]-N-(2-methylpropyl)pentane-1,5-diamine is sourced from PubChem (CID 63865609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).