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

C10H21ClN2 — CID 45261746

IUPAC3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C10H20N2.ClH/c1-3-4-5-6-9-8(2)7-10(11)12-9;/h8-9H,3-7H2,1-2H3,(H2,11,12);1H
InChIKeyUACZNFHCLLGRTD-UHFFFAOYSA-N
MW204.74 g/mol
LogP2.75
Rot. Bonds4

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

3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 45261746) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID45261746
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCCC1N=C(N)CC1C.Cl
InChIInChI=1S/C10H20N2.ClH/c1-3-4-5-6-9-8(2)7-10(11)12-9;/h8-9H,3-7H2,1-2H3,(H2,11,12);1H
InChIKeyUACZNFHCLLGRTD-UHFFFAOYSA-N
XLogP2.75
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.74
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 45261746) is 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCCCCC1N=C(N)CC1C.Cl.
What is the InChIKey of 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is UACZNFHCLLGRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.ClH/c1-3-4-5-6-9-8(2)7-10(11)12-9;/h8-9H,3-7H2,1-2H3,(H2,11,12);1H.
What are the key properties of 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride has a molecular weight of 204.74 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 45261746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).