2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride

C8H16ClN — CID 174496113

IUPAC2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride
SMILESC=C=CC(CN)C(C)C.Cl
InChIInChI=1S/C8H15N.ClH/c1-4-5-8(6-9)7(2)3;/h5,7-8H,1,6,9H2,2-3H3;1H
InChIKeyCKRHMVVFOGJLIY-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.98
Rot. Bonds3

About 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride

2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride (PubChem CID 174496113) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride
PubChem CID174496113
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride
SMILESC=C=CC(CN)C(C)C.Cl
InChIInChI=1S/C8H15N.ClH/c1-4-5-8(6-9)7(2)3;/h5,7-8H,1,6,9H2,2-3H3;1H
InChIKeyCKRHMVVFOGJLIY-UHFFFAOYSA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride?
The IUPAC name of 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride (CID 174496113) is 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride.
What is the SMILES notation for 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride?
The canonical SMILES for 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride is C=C=CC(CN)C(C)C.Cl.
What is the InChIKey of 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride?
The InChIKey is CKRHMVVFOGJLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-4-5-8(6-9)7(2)3;/h5,7-8H,1,6,9H2,2-3H3;1H.
What are the key properties of 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride?
2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylpenta-3,4-dien-1-amine;hydrochloride is sourced from PubChem (CID 174496113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).