N'-benzyldodecane-1,12-diamine

C19H34N2 — CID 10589617

IUPACN'-benzyldodecane-1,12-diamine
SMILESNCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18,20H2
InChIKeyLVYCVMYIGVPVJH-UHFFFAOYSA-N
MW290.49 g/mol
LogP4.64
Rot. Bonds14

About N'-benzyldodecane-1,12-diamine

N'-benzyldodecane-1,12-diamine (PubChem CID 10589617) has the molecular formula C19H34N2 and a molecular weight of 290.49 g/mol. Its IUPAC name is N'-benzyldodecane-1,12-diamine.

Molecular Properties

Compound NameN'-benzyldodecane-1,12-diamine
PubChem CID10589617
Molecular FormulaC19H34N2
Molecular Weight290.49 g/mol
Exact Mass290.27
IUPAC NameN'-benzyldodecane-1,12-diamine
SMILESNCCCCCCCCCCCCNCc1ccccc1
InChIInChI=1S/C19H34N2/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18,20H2
InChIKeyLVYCVMYIGVPVJH-UHFFFAOYSA-N
XLogP4.64
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.49
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 61150072
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N-benzyl-2-phenylethanamine;butane-1,4-diamine
CID 23298616
N'-benzylethane-1,2-diamine;dihydrochloride
CID 161258578
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-(2-aminoethyl)-N'-[2-(benzylamino)ethyl]propane-1,3-diamine;tetrahydrochloride
CID 11440858
N'-(pyridin-4-ylmethyl)hexane-1,6-diamine
CID 83959522
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
N'-[[4-[(3-aminopropylamino)methyl]phenyl]methyl]propane-1,3-diamine
CID 10106170
N-benzyl-5-silylpentan-1-amine
CID 123625500
N-benzyl-12-chlorododecan-1-amine
CID 175007443

Frequently Asked Questions

What is the IUPAC name of N'-benzyldodecane-1,12-diamine?
The IUPAC name of N'-benzyldodecane-1,12-diamine (CID 10589617) is N'-benzyldodecane-1,12-diamine.
What is the SMILES notation for N'-benzyldodecane-1,12-diamine?
The canonical SMILES for N'-benzyldodecane-1,12-diamine is NCCCCCCCCCCCCNCc1ccccc1.
What is the InChIKey of N'-benzyldodecane-1,12-diamine?
The InChIKey is LVYCVMYIGVPVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15,21H,1-8,12-13,16-18,20H2.
What are the key properties of N'-benzyldodecane-1,12-diamine?
N'-benzyldodecane-1,12-diamine has a molecular weight of 290.49 g/mol, XLogP of 4.64, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyldodecane-1,12-diamine is sourced from PubChem (CID 10589617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).