4,7-diaminoheptyl formate

C8H18N2O2 — CID 87299932

IUPAC4,7-diaminoheptyl formate
SMILESNCCCC(N)CCCOC=O
InChIInChI=1S/C8H18N2O2/c9-5-1-3-8(10)4-2-6-12-7-11/h7-8H,1-6,9-10H2
InChIKeyJIONINHXXCZOQM-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.01
Rot. Bonds8

About 4,7-diaminoheptyl formate

4,7-diaminoheptyl formate (PubChem CID 87299932) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 4,7-diaminoheptyl formate.

Molecular Properties

Compound Name4,7-diaminoheptyl formate
PubChem CID87299932
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name4,7-diaminoheptyl formate
SMILESNCCCC(N)CCCOC=O
InChIInChI=1S/C8H18N2O2/c9-5-1-3-8(10)4-2-6-12-7-11/h7-8H,1-6,9-10H2
InChIKeyJIONINHXXCZOQM-UHFFFAOYSA-N
XLogP0.01
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropyl formate;propan-2-amine
CID 175555477
4-aminobutyl formate
CID 54484676
tridecane-1,4,7,10,13-pentamine
CID 86224803
heptane-1,4,7-triamine;tetrahydrochloride
CID 172714614
octane-1,4,8-triamine
CID 18544198
pentacosane-1,13,25-triamine
CID 174653759
4-fluoropentyl formate
CID 87282632
(2S)-2-amino-6-formyloxyhexanoic acid
CID 164706267
4,7-diaminoheptyl 2,2,3,3,3-pentafluoropropanoate
CID 87299929
heptane-1,4-diamine
CID 18547393
7-N-[3-(3-aminopropylamino)propyl]heptane-1,4,7-triamine
CID 172704929
4,7-diaminoheptyl undecanoate
CID 87299658

Frequently Asked Questions

What is the IUPAC name of 4,7-diaminoheptyl formate?
The IUPAC name of 4,7-diaminoheptyl formate (CID 87299932) is 4,7-diaminoheptyl formate.
What is the SMILES notation for 4,7-diaminoheptyl formate?
The canonical SMILES for 4,7-diaminoheptyl formate is NCCCC(N)CCCOC=O.
What is the InChIKey of 4,7-diaminoheptyl formate?
The InChIKey is JIONINHXXCZOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c9-5-1-3-8(10)4-2-6-12-7-11/h7-8H,1-6,9-10H2.
What are the key properties of 4,7-diaminoheptyl formate?
4,7-diaminoheptyl formate has a molecular weight of 174.24 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-diaminoheptyl formate is sourced from PubChem (CID 87299932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).