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

C10H21ClN2 — CID 10398017

IUPAC(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCC[C@H]1N=C(N)C[C@H]1C.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/t8-,9-;/m1./s1
InChIKeyUACZNFHCLLGRTD-VTLYIQCISA-N
MW204.74 g/mol
LogP2.75
Rot. Bonds4

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

(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (PubChem CID 10398017) has the molecular formula C10H21ClN2 and a molecular weight of 204.74 g/mol. Its IUPAC name is (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.

Molecular Properties

Compound Name(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
PubChem CID10398017
Molecular FormulaC10H21ClN2
Molecular Weight204.74 g/mol
Exact Mass204.14
IUPAC Name(2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride
SMILESCCCCC[C@H]1N=C(N)C[C@H]1C.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/t8-,9-;/m1./s1
InChIKeyUACZNFHCLLGRTD-VTLYIQCISA-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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Related Compounds

CID 10396852
CID 10396852
CID 19049087
CID 19049087
CID 19049123
CID 19049123
CID 19049152
CID 19049152
CID 10313224
CID 10313224
CID 19049098
CID 19049098
CID 19049122
CID 19049122
CID 10034809
CID 10034809
CID 10398018
CID 10398018
CID 44399796
CID 44399796
CID 45261746
CID 45261746
CID 45261766
CID 45261766

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The IUPAC name of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride (CID 10398017) is (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride.
What is the SMILES notation for (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The canonical SMILES for (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is CCCCC[C@H]1N=C(N)C[C@H]1C.Cl.
What is the InChIKey of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
The InChIKey is UACZNFHCLLGRTD-VTLYIQCISA-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/t8-,9-;/m1./s1.
What are the key properties of (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride?
(2R,3R)-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 (2R,3R)-3-methyl-2-pentyl-3,4-dihydro-2H-pyrrol-5-amine;hydrochloride is sourced from PubChem (CID 10398017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).