4-propan-2-yloctan-1-amine

C11H25N — CID 126657786

IUPAC4-propan-2-yloctan-1-amine
SMILESCCCCC(CCCN)C(C)C
InChIInChI=1S/C11H25N/c1-4-5-7-11(10(2)3)8-6-9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyNJXQSSKNIMHDOP-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.19
Rot. Bonds7

About 4-propan-2-yloctan-1-amine

4-propan-2-yloctan-1-amine (PubChem CID 126657786) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is 4-propan-2-yloctan-1-amine.

Molecular Properties

Compound Name4-propan-2-yloctan-1-amine
PubChem CID126657786
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Name4-propan-2-yloctan-1-amine
SMILESCCCCC(CCCN)C(C)C
InChIInChI=1S/C11H25N/c1-4-5-7-11(10(2)3)8-6-9-12/h10-11H,4-9,12H2,1-3H3
InChIKeyNJXQSSKNIMHDOP-UHFFFAOYSA-N
XLogP3.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

8-propan-2-ylpentadecane
CID 153475308
6-propan-2-yltridecane
CID 123704479
ethane;(3R)-3-ethyl-2-methylheptane
CID 166461427
3-aminopropyl(tributyl)phosphanium;hydrobromide
CID 175805466
2-propan-2-yloctan-1-amine
CID 62504332
3-propan-2-yl-N-(3-propan-2-ylheptyl)heptan-1-amine
CID 88921962
4-propan-2-yldecane
CID 15038736
9,10-dioctylhenicosan-1-amine
CID 123803716
5-ethyl-4-methylundecan-1-amine
CID 123603936
4-methylheptan-1-amine
CID 18618988
(E)-5-propan-2-yltetracos-11-ene
CID 173194520
9-nonylheptacosane-1,10-diamine;dihydrofluoride
CID 174769166

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloctan-1-amine?
The IUPAC name of 4-propan-2-yloctan-1-amine (CID 126657786) is 4-propan-2-yloctan-1-amine.
What is the SMILES notation for 4-propan-2-yloctan-1-amine?
The canonical SMILES for 4-propan-2-yloctan-1-amine is CCCCC(CCCN)C(C)C.
What is the InChIKey of 4-propan-2-yloctan-1-amine?
The InChIKey is NJXQSSKNIMHDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-4-5-7-11(10(2)3)8-6-9-12/h10-11H,4-9,12H2,1-3H3.
What are the key properties of 4-propan-2-yloctan-1-amine?
4-propan-2-yloctan-1-amine has a molecular weight of 171.33 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloctan-1-amine is sourced from PubChem (CID 126657786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).