(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride

C9H18ClN3 — CID 171201685

IUPAC(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C9H17N3.ClH/c10-6-2-1-4-8(11)9-5-3-7-12-9;/h3,5,7-8,12H,1-2,4,6,10-11H2;1H/t8-;/m1./s1
InChIKeyXVVAIBSGRAAIJQ-DDWIOCJRSA-N
MW203.72 g/mol
LogP1.57
Rot. Bonds5

About (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride

(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 171201685) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
PubChem CID171201685
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc[nH]1
InChIInChI=1S/C9H17N3.ClH/c10-6-2-1-4-8(11)9-5-3-7-12-9;/h3,5,7-8,12H,1-2,4,6,10-11H2;1H/t8-;/m1./s1
InChIKeyXVVAIBSGRAAIJQ-DDWIOCJRSA-N
XLogP1.57
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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)hexan-1-amine;hydrochloride
CID 171221230
(4S)-4-amino-4-(1H-pyrrol-2-yl)butan-1-ol;hydrochloride
CID 171221255
(1R)-1-(1H-pyrrol-2-yl)ethane-1,2-diamine;hydrochloride
CID 171201680
1-(1H-pyrrol-2-yl)ethane-1,2-diamine
CID 55293480
(1S)-1-(1H-pyrrol-2-yl)butan-1-amine
CID 96637438
(1S)-4,4,4-trifluoro-1-(1H-pyrrol-2-yl)butan-1-amine;hydrochloride
CID 171221235
N,N-dimethyl-1-(1H-pyrrol-2-yl)butane-1,4-diamine
CID 116905151
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497
3-piperazin-1-yl-1-(1H-pyrrol-2-yl)propan-1-amine
CID 116939912
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
CID 171205545
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
(1R)-1-anthracen-9-ylpentane-1,5-diamine;hydrochloride
CID 171197562

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride (CID 171201685) is (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1ccc[nH]1.
What is the InChIKey of (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is XVVAIBSGRAAIJQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c10-6-2-1-4-8(11)9-5-3-7-12-9;/h3,5,7-8,12H,1-2,4,6,10-11H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 1.57, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-pyrrol-2-yl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171201685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).