4-amino-4-(7-aminoheptyl)heptanedinitrile

C14H26N4 — CID 54507344

IUPAC4-amino-4-(7-aminoheptyl)heptanedinitrile
SMILESN#CCCC(N)(CCC#N)CCCCCCCN
InChIInChI=1S/C14H26N4/c15-11-5-3-1-2-4-8-14(18,9-6-12-16)10-7-13-17/h1-11,15,18H2
InChIKeyYGQOBXWEPKAMGL-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.59
Rot. Bonds11

About 4-amino-4-(7-aminoheptyl)heptanedinitrile

4-amino-4-(7-aminoheptyl)heptanedinitrile (PubChem CID 54507344) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-amino-4-(7-aminoheptyl)heptanedinitrile.

Molecular Properties

Compound Name4-amino-4-(7-aminoheptyl)heptanedinitrile
PubChem CID54507344
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-amino-4-(7-aminoheptyl)heptanedinitrile
SMILESN#CCCC(N)(CCC#N)CCCCCCCN
InChIInChI=1S/C14H26N4/c15-11-5-3-1-2-4-8-14(18,9-6-12-16)10-7-13-17/h1-11,15,18H2
InChIKeyYGQOBXWEPKAMGL-UHFFFAOYSA-N
XLogP2.59
TPSA99.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(7-aminoheptyl)heptanedinitrile?
The IUPAC name of 4-amino-4-(7-aminoheptyl)heptanedinitrile (CID 54507344) is 4-amino-4-(7-aminoheptyl)heptanedinitrile.
What is the SMILES notation for 4-amino-4-(7-aminoheptyl)heptanedinitrile?
The canonical SMILES for 4-amino-4-(7-aminoheptyl)heptanedinitrile is N#CCCC(N)(CCC#N)CCCCCCCN.
What is the InChIKey of 4-amino-4-(7-aminoheptyl)heptanedinitrile?
The InChIKey is YGQOBXWEPKAMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c15-11-5-3-1-2-4-8-14(18,9-6-12-16)10-7-13-17/h1-11,15,18H2.
What are the key properties of 4-amino-4-(7-aminoheptyl)heptanedinitrile?
4-amino-4-(7-aminoheptyl)heptanedinitrile has a molecular weight of 250.39 g/mol, XLogP of 2.59, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(7-aminoheptyl)heptanedinitrile is sourced from PubChem (CID 54507344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).