N'-benzylheptane-1,7-diamine

C14H24N2 — CID 61150072

IUPACN'-benzylheptane-1,7-diamine
SMILESNCCCCCCCNCc1ccccc1
InChIInChI=1S/C14H24N2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13,15H2
InChIKeyCJSNBOPBYCBRRK-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.69
Rot. Bonds9

About N'-benzylheptane-1,7-diamine

N'-benzylheptane-1,7-diamine (PubChem CID 61150072) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-benzylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-benzylheptane-1,7-diamine
PubChem CID61150072
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-benzylheptane-1,7-diamine
SMILESNCCCCCCCNCc1ccccc1
InChIInChI=1S/C14H24N2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13,15H2
InChIKeyCJSNBOPBYCBRRK-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.69
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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N-benzyl-2-phenylethanamine;butane-1,4-diamine
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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
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CID 175007443

Frequently Asked Questions

What is the IUPAC name of N'-benzylheptane-1,7-diamine?
The IUPAC name of N'-benzylheptane-1,7-diamine (CID 61150072) is N'-benzylheptane-1,7-diamine.
What is the SMILES notation for N'-benzylheptane-1,7-diamine?
The canonical SMILES for N'-benzylheptane-1,7-diamine is NCCCCCCCNCc1ccccc1.
What is the InChIKey of N'-benzylheptane-1,7-diamine?
The InChIKey is CJSNBOPBYCBRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c15-11-7-2-1-3-8-12-16-13-14-9-5-4-6-10-14/h4-6,9-10,16H,1-3,7-8,11-13,15H2.
What are the key properties of N'-benzylheptane-1,7-diamine?
N'-benzylheptane-1,7-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzylheptane-1,7-diamine is sourced from PubChem (CID 61150072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).