(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride

C10H19ClN2 — CID 171221230

IUPAC(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1ccc[nH]1.Cl
InChIInChI=1S/C10H18N2.ClH/c1-2-3-4-6-9(11)10-7-5-8-12-10;/h5,7-9,12H,2-4,6,11H2,1H3;1H/t9-;/m0./s1
InChIKeyUHKOMSYDBAPWAV-FVGYRXGTSA-N
MW202.73 g/mol
LogP3.02
Rot. Bonds5

About (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride

(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride (PubChem CID 171221230) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
PubChem CID171221230
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride
SMILESCCCCC[C@H](N)c1ccc[nH]1.Cl
InChIInChI=1S/C10H18N2.ClH/c1-2-3-4-6-9(11)10-7-5-8-12-10;/h5,7-9,12H,2-4,6,11H2,1H3;1H/t9-;/m0./s1
InChIKeyUHKOMSYDBAPWAV-FVGYRXGTSA-N
XLogP3.02
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
CID 171201685
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
1-(1H-pyrrol-2-yl)octan-1-ol
CID 63749625
2-nonan-3-yl-1H-pyrrole
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(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
2-heptan-3-yl-1H-pyrrole
CID 151647430
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
1-phenylhexan-1-amine;hydrochloride
CID 3033249
5-[1-(1H-pyrrol-2-yl)hexyl]-1H-pyrrole-2-carbaldehyde
CID 23628978
2-[(E)-10-methyltricos-9-en-11-yl]-1H-pyrrole
CID 68723890
(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride (CID 171221230) is (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride is CCCCC[C@H](N)c1ccc[nH]1.Cl.
What is the InChIKey of (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride?
The InChIKey is UHKOMSYDBAPWAV-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H18N2.ClH/c1-2-3-4-6-9(11)10-7-5-8-12-10;/h5,7-9,12H,2-4,6,11H2,1H3;1H/t9-;/m0./s1.
What are the key properties of (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride?
(1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride has a molecular weight of 202.73 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1H-pyrrol-2-yl)hexan-1-amine;hydrochloride is sourced from PubChem (CID 171221230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).