N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

C15H33N3 — CID 62574097

IUPACN-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-4-5-6-7-10-16-11-14-18(3)15-8-12-17(2)13-9-15/h15-16H,4-14H2,1-3H3
InChIKeyKUYPGQXTPBSBFF-UHFFFAOYSA-N
MW255.45 g/mol
LogP2.18
Rot. Bonds9

About N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine

N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 62574097) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID62574097
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine
SMILESCCCCCCNCCN(C)C1CCN(C)CC1
InChIInChI=1S/C15H33N3/c1-4-5-6-7-10-16-11-14-18(3)15-8-12-17(2)13-9-15/h15-16H,4-14H2,1-3H3
InChIKeyKUYPGQXTPBSBFF-UHFFFAOYSA-N
XLogP2.18
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-cycloheptyl-N-hexyl-N'-methylethane-1,2-diamine
CID 63503548
N'-methyl-N'-(oxan-4-yl)-N-pentylethane-1,2-diamine
CID 62560454
N'-(1-ethylpiperidin-4-yl)-N'-methyl-N-propylpentane-1,5-diamine
CID 55072081
N-[(1-methylpiperidin-4-yl)methyl]decan-1-amine
CID 62223084
N-[2-[4-[2-[methyl(pentyl)amino]ethyl]piperazin-1-yl]ethyl]heptan-1-amine
CID 143882413
N-(2-butoxyethyl)-N'-(1-ethylpiperidin-4-yl)-N'-methylethane-1,2-diamine
CID 62554486
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532
N-[5-[methyl-(1-methylpiperidin-4-yl)amino]pentyl]acetamide
CID 110441171
N',N'-dimethyl-N-tetradecylethane-1,2-diamine
CID 15792996
N-[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]ethyl]pentan-1-amine
CID 62889239
N'-methyl-N'-(oxan-4-yl)-N-propylpentane-1,5-diamine
CID 62431846
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-N-propylbutane-1,4-diamine
CID 63274674

Frequently Asked Questions

What is the IUPAC name of N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine (CID 62574097) is N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is CCCCCCNCCN(C)C1CCN(C)CC1.
What is the InChIKey of N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is KUYPGQXTPBSBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-4-5-6-7-10-16-11-14-18(3)15-8-12-17(2)13-9-15/h15-16H,4-14H2,1-3H3.
What are the key properties of N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine?
N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 255.45 g/mol, XLogP of 2.18, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N'-methyl-N'-(1-methylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 62574097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).