N'-[(2-cyclopentadecylethylamino)methyl]methanediamine

C19H41N3 — CID 155760547

IUPACN'-[(2-cyclopentadecylethylamino)methyl]methanediamine
SMILESNCNCNCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H41N3/c20-17-22-18-21-16-15-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19/h19,21-22H,1-18,20H2
InChIKeyHEXHHPDOXXZGHF-UHFFFAOYSA-N
MW311.56 g/mol
LogP4.52
Rot. Bonds6

About N'-[(2-cyclopentadecylethylamino)methyl]methanediamine

N'-[(2-cyclopentadecylethylamino)methyl]methanediamine (PubChem CID 155760547) has the molecular formula C19H41N3 and a molecular weight of 311.56 g/mol. Its IUPAC name is N'-[(2-cyclopentadecylethylamino)methyl]methanediamine.

Molecular Properties

Compound NameN'-[(2-cyclopentadecylethylamino)methyl]methanediamine
PubChem CID155760547
Molecular FormulaC19H41N3
Molecular Weight311.56 g/mol
Exact Mass311.33
IUPAC NameN'-[(2-cyclopentadecylethylamino)methyl]methanediamine
SMILESNCNCNCCC1CCCCCCCCCCCCCC1
InChIInChI=1S/C19H41N3/c20-17-22-18-21-16-15-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19/h19,21-22H,1-18,20H2
InChIKeyHEXHHPDOXXZGHF-UHFFFAOYSA-N
XLogP4.52
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.56
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N'-(2-cyclopentylethyl)ethane-1,2-diamine
CID 57274460
2-cyclononyl-N-(cyclononylmethyl)ethanamine
CID 91347612
N-(cyclobutylmethyl)-2-cyclohexylethanamine
CID 65457561
2-(2-cycloheptylethylamino)ethanol
CID 22723010
N-(2-cyclohexylethyl)-2,2-dimethylbutane-1,4-diamine
CID 115204587
2-cyclohexylethylhydrazine;dihydrochloride
CID 66665406
N-(chloromethyl)-2-cyclopentylethanamine
CID 115263432
2-cyclohexyl-N-methylethanamine;ethane
CID 171834156
N-(2-cyclohexylethyl)-2-methylbutane-1,4-diamine
CID 115202800
2-cyclopentyl-N-ethylethanamine;hydrochloride
CID 3028141
N'-[2-(3-cyclodecylpropylamino)ethyl]ethane-1,2-diamine
CID 126513357
N'-(4-cyclopentadecylbutyl)ethane-1,2-diamine
CID 159351931

Frequently Asked Questions

What is the IUPAC name of N'-[(2-cyclopentadecylethylamino)methyl]methanediamine?
The IUPAC name of N'-[(2-cyclopentadecylethylamino)methyl]methanediamine (CID 155760547) is N'-[(2-cyclopentadecylethylamino)methyl]methanediamine.
What is the SMILES notation for N'-[(2-cyclopentadecylethylamino)methyl]methanediamine?
The canonical SMILES for N'-[(2-cyclopentadecylethylamino)methyl]methanediamine is NCNCNCCC1CCCCCCCCCCCCCC1.
What is the InChIKey of N'-[(2-cyclopentadecylethylamino)methyl]methanediamine?
The InChIKey is HEXHHPDOXXZGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41N3/c20-17-22-18-21-16-15-19-13-11-9-7-5-3-1-2-4-6-8-10-12-14-19/h19,21-22H,1-18,20H2.
What are the key properties of N'-[(2-cyclopentadecylethylamino)methyl]methanediamine?
N'-[(2-cyclopentadecylethylamino)methyl]methanediamine has a molecular weight of 311.56 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-cyclopentadecylethylamino)methyl]methanediamine is sourced from PubChem (CID 155760547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).