azane;heptan-4-amine

C7H20N2 — CID 118430725

IUPACazane;heptan-4-amine
SMILESCCCC(N)CCC.N
InChIInChI=1S/C7H17N.H3N/c1-3-5-7(8)6-4-2;/h7H,3-6,8H2,1-2H3;1H3
InChIKeyVZHOIKTULAXOHV-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.08
Rot. Bonds4

About azane;heptan-4-amine

azane;heptan-4-amine (PubChem CID 118430725) has the molecular formula C7H20N2 and a molecular weight of 132.25 g/mol. Its IUPAC name is azane;heptan-4-amine.

Molecular Properties

Compound Nameazane;heptan-4-amine
PubChem CID118430725
Molecular FormulaC7H20N2
Molecular Weight132.25 g/mol
Exact Mass132.16
IUPAC Nameazane;heptan-4-amine
SMILESCCCC(N)CCC.N
InChIInChI=1S/C7H17N.H3N/c1-3-5-7(8)6-4-2;/h7H,3-6,8H2,1-2H3;1H3
InChIKeyVZHOIKTULAXOHV-UHFFFAOYSA-N
XLogP2.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-tridecan-4-amine
CID 150614684
1-iodohexan-3-amine
CID 126638870
ethane;hexan-3-amine
CID 143616305
heptane-1,4-diamine
CID 18547393
tetradecane-3,11-diamine
CID 170279817
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
decan-4-amine;hydrochloride
CID 87728109
(4R)-1,1,1-trifluoroheptan-4-amine
CID 104932458
(3S)-3-aminohexan-1-ol;sulfane;hydrochloride
CID 161031770
tridecane-1,4,7,10-tetramine
CID 175128174
ethane;hexan-3-amine;methane
CID 145152462

Frequently Asked Questions

What is the IUPAC name of azane;heptan-4-amine?
The IUPAC name of azane;heptan-4-amine (CID 118430725) is azane;heptan-4-amine.
What is the SMILES notation for azane;heptan-4-amine?
The canonical SMILES for azane;heptan-4-amine is CCCC(N)CCC.N.
What is the InChIKey of azane;heptan-4-amine?
The InChIKey is VZHOIKTULAXOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N.H3N/c1-3-5-7(8)6-4-2;/h7H,3-6,8H2,1-2H3;1H3.
What are the key properties of azane;heptan-4-amine?
azane;heptan-4-amine has a molecular weight of 132.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;heptan-4-amine is sourced from PubChem (CID 118430725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).