butan-2-amine;octan-4-amine

C12H30N2 — CID 87595961

IUPACbutan-2-amine;octan-4-amine
SMILESCCC(C)N.CCCCC(N)CCC
InChIInChI=1S/C8H19N.C4H11N/c1-3-5-7-8(9)6-4-2;1-3-4(2)5/h8H,3-7,9H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyAZELIGYALAAAGE-UHFFFAOYSA-N
MW202.39 g/mol
LogP3.05
Rot. Bonds6

About butan-2-amine;octan-4-amine

butan-2-amine;octan-4-amine (PubChem CID 87595961) has the molecular formula C12H30N2 and a molecular weight of 202.39 g/mol. Its IUPAC name is butan-2-amine;octan-4-amine.

Molecular Properties

Compound Namebutan-2-amine;octan-4-amine
PubChem CID87595961
Molecular FormulaC12H30N2
Molecular Weight202.39 g/mol
Exact Mass202.24
IUPAC Namebutan-2-amine;octan-4-amine
SMILESCCC(C)N.CCCCC(N)CCC
InChIInChI=1S/C8H19N.C4H11N/c1-3-5-7-8(9)6-4-2;1-3-4(2)5/h8H,3-7,9H2,1-2H3;4H,3,5H2,1-2H3
InChIKeyAZELIGYALAAAGE-UHFFFAOYSA-N
XLogP3.05
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264
decan-4-amine;hydrochloride
CID 87728109
nonan-4-amine;hydrochloride
CID 86176929
heptadecan-4-amine;hydrochloride
CID 173248342
tetradecane-3,11-diamine
CID 170279817
nonadecane-2,14-diamine
CID 89095951
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
8-methylundecan-4-amine
CID 64503198
azane;heptan-4-amine
CID 118430725
heptane-1,4-diamine
CID 18547393

Frequently Asked Questions

What is the IUPAC name of butan-2-amine;octan-4-amine?
The IUPAC name of butan-2-amine;octan-4-amine (CID 87595961) is butan-2-amine;octan-4-amine.
What is the SMILES notation for butan-2-amine;octan-4-amine?
The canonical SMILES for butan-2-amine;octan-4-amine is CCC(C)N.CCCCC(N)CCC.
What is the InChIKey of butan-2-amine;octan-4-amine?
The InChIKey is AZELIGYALAAAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N.C4H11N/c1-3-5-7-8(9)6-4-2;1-3-4(2)5/h8H,3-7,9H2,1-2H3;4H,3,5H2,1-2H3.
What are the key properties of butan-2-amine;octan-4-amine?
butan-2-amine;octan-4-amine has a molecular weight of 202.39 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-amine;octan-4-amine is sourced from PubChem (CID 87595961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).