2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride

C9H18ClN — CID 173037524

IUPAC2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(C)(CN)CC=C.Cl
InChIInChI=1S/C9H17N.ClH/c1-4-6-9(3,8-10)7-5-2;/h4-5H,1-2,6-8,10H2,3H3;1H
InChIKeyDZRKEUWNQRBHHP-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.53
Rot. Bonds5

About 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride

2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride (PubChem CID 173037524) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
PubChem CID173037524
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride
SMILESC=CCC(C)(CN)CC=C.Cl
InChIInChI=1S/C9H17N.ClH/c1-4-6-9(3,8-10)7-5-2;/h4-5H,1-2,6-8,10H2,3H3;1H
InChIKeyDZRKEUWNQRBHHP-UHFFFAOYSA-N
XLogP2.53
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-amino-2-methylpent-4-en-2-ol;hydrochloride
CID 134542347
4-methyl-4-prop-2-enylhepta-1,6-dien-2-amine
CID 174238580
4-methyl-4-propylhept-1-ene
CID 139926982
N,2-dimethyl-2-prop-2-enylpent-4-en-1-amine
CID 153496767
pent-4-ene-1,2,2-triamine
CID 88705333
2-chloro-2-prop-2-enylpent-4-en-1-amine
CID 87643832
4,7-dimethyldeca-1,9-diene-4,7-diamine
CID 10774290
2-(aminomethyl)-2-prop-2-enylpent-4-enenitrile
CID 57269816
4-chloro-4-methylpent-1-ene
CID 14174361
4-ethyl-4,7,7-trimethylnon-1-ene
CID 123137671
2-amino-2-methylpent-4-en-1-ol
CID 55291318
3,3-dimethylhex-5-en-2-amine
CID 130019272

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The IUPAC name of 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride (CID 173037524) is 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride.
What is the SMILES notation for 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The canonical SMILES for 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride is C=CCC(C)(CN)CC=C.Cl.
What is the InChIKey of 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
The InChIKey is DZRKEUWNQRBHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.ClH/c1-4-6-9(3,8-10)7-5-2;/h4-5H,1-2,6-8,10H2,3H3;1H.
What are the key properties of 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride?
2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride has a molecular weight of 175.70 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enylpent-4-en-1-amine;hydrochloride is sourced from PubChem (CID 173037524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).