3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

C8H17ClN2 — CID 19049122

IUPAC3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C8H16N2.ClH/c1-3-4-7-6(2)5-8(9)10-7;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H
InChIKeyKRAZUYRRUWMBKX-UHFFFAOYSA-N
MW176.69 g/mol
LogP1.97
Rot. Bonds2

About 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride

3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 19049122) has the molecular formula C8H17ClN2 and a molecular weight of 176.69 g/mol. Its IUPAC name is 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID19049122
Molecular FormulaC8H17ClN2
Molecular Weight176.69 g/mol
Exact Mass176.11
IUPAC Name3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C8H16N2.ClH/c1-3-4-7-6(2)5-8(9)10-7;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H
InChIKeyKRAZUYRRUWMBKX-UHFFFAOYSA-N
XLogP1.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.69
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethyl-pyrrolidin-(2Z)-ylideneamine
CID 10261068
5-Ethyl-3-methyl-pyrrolidin-(2Z)-ylideneamine
CID 17892465
4-Ethyl-5-methyl-pyrrolidin-(2Z)-ylideneamine
CID 19049121
5-Ethyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049087
5-Methyl-4-propyl-pyrrolidin-(2Z)-ylideneamine
CID 19049152
2,4-Dimethyl-2,3,4,5-tetrahydropyridin-6-amine
CID 4247236
2-Ethyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10396852
5-Ethyl-4-methylpyrrolidin-2-imine, monohydrochloride
CID 19049098
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 10398017
(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine
CID 10398018
3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 45261746
2-butyl-3-methyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
CID 45261766

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 19049122) is 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCCC1N=C(N)CC1C.Cl.
What is the InChIKey of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is KRAZUYRRUWMBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.ClH/c1-3-4-7-6(2)5-8(9)10-7;/h6-7H,3-5H2,1-2H3,(H2,9,10);1H.
What are the key properties of 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 176.69 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-propyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 19049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).