3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride

C11H23ClN2 — CID 45265010

IUPAC3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride
SMILESCCCCCC1N=C(N)CC1(C)C.Cl
InChIInChI=1S/C11H22N2.ClH/c1-4-5-6-7-9-11(2,3)8-10(12)13-9;/h9H,4-8H2,1-3H3,(H2,12,13);1H
InChIKeyDHWIIWFIOJSHLV-UHFFFAOYSA-N
MW218.77 g/mol
LogP3.14
Rot. Bonds4

About 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride

3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride (PubChem CID 45265010) has the molecular formula C11H23ClN2 and a molecular weight of 218.77 g/mol. Its IUPAC name is 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride
PubChem CID45265010
Molecular FormulaC11H23ClN2
Molecular Weight218.77 g/mol
Exact Mass218.15
IUPAC Name3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride
SMILESCCCCCC1N=C(N)CC1(C)C.Cl
InChIInChI=1S/C11H22N2.ClH/c1-4-5-6-7-9-11(2,3)8-10(12)13-9;/h9H,4-8H2,1-3H3,(H2,12,13);1H
InChIKeyDHWIIWFIOJSHLV-UHFFFAOYSA-N
XLogP3.14
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.77
LogP ≤ 53.14
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 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride (CID 45265010) is 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride is CCCCCC1N=C(N)CC1(C)C.Cl.
What is the InChIKey of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride?
The InChIKey is DHWIIWFIOJSHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.ClH/c1-4-5-6-7-9-11(2,3)8-10(12)13-9;/h9H,4-8H2,1-3H3,(H2,12,13);1H.
What are the key properties of 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride?
3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride has a molecular weight of 218.77 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-pentyl-2,4-dihydropyrrol-5-amine;hydrochloride is sourced from PubChem (CID 45265010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).