N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine

C31H68N4 — CID 89262213

IUPACN-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCNN(CCN)CCCCCCCCCCCCC
InChIInChI=1S/C31H68N4/c1-3-5-7-9-11-13-15-16-18-20-22-24-27-33-28-29-34-35(31-26-32)30-25-23-21-19-17-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3
InChIKeyOBNRVWUBJGUYDY-UHFFFAOYSA-N
MW496.91 g/mol
LogP8.35
Rot. Bonds31

About N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine

N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine (PubChem CID 89262213) has the molecular formula C31H68N4 and a molecular weight of 496.91 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine
PubChem CID89262213
Molecular FormulaC31H68N4
Molecular Weight496.91 g/mol
Exact Mass496.54
IUPAC NameN-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine
SMILESCCCCCCCCCCCCCCNCCNN(CCN)CCCCCCCCCCCCC
InChIInChI=1S/C31H68N4/c1-3-5-7-9-11-13-15-16-18-20-22-24-27-33-28-29-34-35(31-26-32)30-25-23-21-19-17-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3
InChIKeyOBNRVWUBJGUYDY-UHFFFAOYSA-N
XLogP8.35
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds31
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.91
LogP ≤ 58.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2,2-dioctadecylhydrazinyl)ethyl]ethane-1,2-diamine
CID 19708261
N'-[2-[2-[2-(2-aminoethyl)-2-(3-aminopropyl)hydrazinyl]ethylamino]ethyl]ethane-1,2-diamine
CID 90866572
N'-[2-(hexatriacontylamino)ethyl]ethane-1,2-diamine
CID 88704371
N-hexylhexan-1-amine;propan-1-amine
CID 87675299
N'-docosylethane-1,2-diamine
CID 18783196
N'-henicosylethane-1,2-diamine
CID 22930907
heptan-1-amine;N-nonylnonan-1-amine
CID 175163208
N'-dodecylheptane-1,7-diamine
CID 122537296
hexan-1-amine;N-hexylhexan-1-amine
CID 118077352
N'-pentyltridecane-1,13-diamine
CID 174397381
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N'-[2-[di(nonyl)amino]ethyl]octane-1,8-diamine
CID 142498918

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine?
The IUPAC name of N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine (CID 89262213) is N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine?
The canonical SMILES for N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine is CCCCCCCCCCCCCCNCCNN(CCN)CCCCCCCCCCCCC.
What is the InChIKey of N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine?
The InChIKey is OBNRVWUBJGUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H68N4/c1-3-5-7-9-11-13-15-16-18-20-22-24-27-33-28-29-34-35(31-26-32)30-25-23-21-19-17-14-12-10-8-6-4-2/h33-34H,3-32H2,1-2H3.
What are the key properties of N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine?
N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine has a molecular weight of 496.91 g/mol, XLogP of 8.35, 31 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethyl)-2-tridecylhydrazinyl]ethyl]tetradecan-1-amine is sourced from PubChem (CID 89262213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).