N'-phenylheptane-1,7-diamine

C13H22N2 — CID 61149618

IUPACN'-phenylheptane-1,7-diamine
SMILESNCCCCCCCNc1ccccc1
InChIInChI=1S/C13H22N2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,15H,1-3,7-8,11-12,14H2
InChIKeyTZHQSTLNXWNWRV-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.01
Rot. Bonds8

About N'-phenylheptane-1,7-diamine

N'-phenylheptane-1,7-diamine (PubChem CID 61149618) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-phenylheptane-1,7-diamine.

Molecular Properties

Compound NameN'-phenylheptane-1,7-diamine
PubChem CID61149618
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-phenylheptane-1,7-diamine
SMILESNCCCCCCCNc1ccccc1
InChIInChI=1S/C13H22N2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,15H,1-3,7-8,11-12,14H2
InChIKeyTZHQSTLNXWNWRV-UHFFFAOYSA-N
XLogP3.01
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.01
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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ethane;N'-phenylethane-1,2-diamine
CID 91048519
N-heptylaniline;hydrate
CID 174886464
disodium;N,N'-diphenylethane-1,2-diamine;hydride
CID 173210842
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Frequently Asked Questions

What is the IUPAC name of N'-phenylheptane-1,7-diamine?
The IUPAC name of N'-phenylheptane-1,7-diamine (CID 61149618) is N'-phenylheptane-1,7-diamine.
What is the SMILES notation for N'-phenylheptane-1,7-diamine?
The canonical SMILES for N'-phenylheptane-1,7-diamine is NCCCCCCCNc1ccccc1.
What is the InChIKey of N'-phenylheptane-1,7-diamine?
The InChIKey is TZHQSTLNXWNWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c14-11-7-2-1-3-8-12-15-13-9-5-4-6-10-13/h4-6,9-10,15H,1-3,7-8,11-12,14H2.
What are the key properties of N'-phenylheptane-1,7-diamine?
N'-phenylheptane-1,7-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-phenylheptane-1,7-diamine is sourced from PubChem (CID 61149618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).