2-propan-2-ylhex-5-en-1-amine;hydrochloride

C9H20ClN — CID 126844479

IUPAC2-propan-2-ylhex-5-en-1-amine;hydrochloride
SMILESC=CCCC(CN)C(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-5-6-9(7-10)8(2)3;/h4,8-9H,1,5-7,10H2,2-3H3;1H
InChIKeyFDCBIDBMALPHIN-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.61
Rot. Bonds5

About 2-propan-2-ylhex-5-en-1-amine;hydrochloride

2-propan-2-ylhex-5-en-1-amine;hydrochloride (PubChem CID 126844479) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is 2-propan-2-ylhex-5-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-propan-2-ylhex-5-en-1-amine;hydrochloride
PubChem CID126844479
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC Name2-propan-2-ylhex-5-en-1-amine;hydrochloride
SMILESC=CCCC(CN)C(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-4-5-6-9(7-10)8(2)3;/h4,8-9H,1,5-7,10H2,2-3H3;1H
InChIKeyFDCBIDBMALPHIN-UHFFFAOYSA-N
XLogP2.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-propan-2-ylhex-5-en-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-propan-2-ylocta-1,7-diene
CID 59911119
N-methyl-2-propan-2-ylhex-5-en-1-amine;hydrochloride
CID 126844480
N'-but-3-enyl-2-propan-2-ylpropane-1,3-diamine
CID 107442722
2-propan-2-ylbutane-1,4-diamine
CID 55281823
4-propan-2-ylhepta-1,6-diene
CID 14140894
2-but-3-enylhex-5-en-1-amine
CID 130382667
ethane;2-propan-2-ylpentan-1-amine
CID 153346460
2-propan-2-yl-N'-prop-2-enylpropane-1,3-diamine
CID 107440897
5-ethyl-6-methyloct-1-ene
CID 123326070
12-propan-2-yltricosa-1,22-diene
CID 102161324
bis(buta-1,3-diene);5-methylhex-1-ene
CID 174724270
(2S)-1-aminohex-5-en-2-ol
CID 34176840

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The IUPAC name of 2-propan-2-ylhex-5-en-1-amine;hydrochloride (CID 126844479) is 2-propan-2-ylhex-5-en-1-amine;hydrochloride.
What is the SMILES notation for 2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The canonical SMILES for 2-propan-2-ylhex-5-en-1-amine;hydrochloride is C=CCCC(CN)C(C)C.Cl.
What is the InChIKey of 2-propan-2-ylhex-5-en-1-amine;hydrochloride?
The InChIKey is FDCBIDBMALPHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-4-5-6-9(7-10)8(2)3;/h4,8-9H,1,5-7,10H2,2-3H3;1H.
What are the key properties of 2-propan-2-ylhex-5-en-1-amine;hydrochloride?
2-propan-2-ylhex-5-en-1-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-ylhex-5-en-1-amine;hydrochloride is sourced from PubChem (CID 126844479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).