4-propylocta-6,7-diene-1,4-diamine

C11H22N2 — CID 88707549

IUPAC4-propylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)(CCC)CCCN
InChIInChI=1S/C11H22N2/c1-3-5-8-11(13,7-4-2)9-6-10-12/h5H,1,4,6-10,12-13H2,2H3
InChIKeyOUTQHPOHTRDIDN-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.95
Rot. Bonds7

About 4-propylocta-6,7-diene-1,4-diamine

4-propylocta-6,7-diene-1,4-diamine (PubChem CID 88707549) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 4-propylocta-6,7-diene-1,4-diamine.

Molecular Properties

Compound Name4-propylocta-6,7-diene-1,4-diamine
PubChem CID88707549
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name4-propylocta-6,7-diene-1,4-diamine
SMILESC=C=CCC(N)(CCC)CCCN
InChIInChI=1S/C11H22N2/c1-3-5-8-11(13,7-4-2)9-6-10-12/h5H,1,4,6-10,12-13H2,2H3
InChIKeyOUTQHPOHTRDIDN-UHFFFAOYSA-N
XLogP1.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-propylheptane-1,3,7-triamine
CID 57060059
4-pentadecylheptane-1,4,7-triamine
CID 156536321
azane;3-ethylhexan-3-amine
CID 18676269
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
3-ethylheptan-3-amine
CID 12708037
4-propyldec-9-yn-4-amine
CID 57062818
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
3-ethyloctan-3-amine
CID 19350108
4-prop-2-enylpentadec-1-en-4-amine;hydrobromide
CID 175561097
7-(5-aminopentyl)tridecane-1,7,13-triamine
CID 135263766
3-ethylpentane-1,3-diamine
CID 22019015

Frequently Asked Questions

What is the IUPAC name of 4-propylocta-6,7-diene-1,4-diamine?
The IUPAC name of 4-propylocta-6,7-diene-1,4-diamine (CID 88707549) is 4-propylocta-6,7-diene-1,4-diamine.
What is the SMILES notation for 4-propylocta-6,7-diene-1,4-diamine?
The canonical SMILES for 4-propylocta-6,7-diene-1,4-diamine is C=C=CCC(N)(CCC)CCCN.
What is the InChIKey of 4-propylocta-6,7-diene-1,4-diamine?
The InChIKey is OUTQHPOHTRDIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-3-5-8-11(13,7-4-2)9-6-10-12/h5H,1,4,6-10,12-13H2,2H3.
What are the key properties of 4-propylocta-6,7-diene-1,4-diamine?
4-propylocta-6,7-diene-1,4-diamine has a molecular weight of 182.31 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propylocta-6,7-diene-1,4-diamine is sourced from PubChem (CID 88707549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).