(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine

C10H19N3 — CID 171212571

IUPAC(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
SMILESCn1cccc1[C@H](N)CCCCN
InChIInChI=1S/C10H19N3/c1-13-8-4-6-10(13)9(12)5-2-3-7-11/h4,6,8-9H,2-3,5,7,11-12H2,1H3/t9-/m1/s1
InChIKeyNVHQKPDKPSWREJ-SECBINFHSA-N
MW181.28 g/mol
LogP1.15
Rot. Bonds5

About (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine

(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine (PubChem CID 171212571) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
PubChem CID171212571
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine
SMILESCn1cccc1[C@H](N)CCCCN
InChIInChI=1S/C10H19N3/c1-13-8-4-6-10(13)9(12)5-2-3-7-11/h4,6,8-9H,2-3,5,7,11-12H2,1H3/t9-/m1/s1
InChIKeyNVHQKPDKPSWREJ-SECBINFHSA-N
XLogP1.15
TPSA56.97 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-amino-5-(1-methylpyrrol-2-yl)pentan-1-ol
CID 55265665
3-(1-methylpyrrol-2-yl)butan-1-amine
CID 82595087
(1S)-3-methyl-1-(1-methylpyrrol-2-yl)but-3-en-1-amine
CID 130897911
(1R)-1-(4-phenylphenyl)pentane-1,5-diamine
CID 171208421
2-heptan-4-yl-1-methylpyrrole
CID 142001413
(1S)-1-(2,6-dimethylphenyl)pentane-1,5-diamine
CID 171223884
(1R)-2,2-difluoro-1-(1-methylpyrrol-2-yl)ethanamine;hydrochloride
CID 171243825
1-methyl-2-nonan-3-ylpyrrole
CID 91052643
3-amino-1-(1-methylpyrrol-2-yl)propane-1,2-diol
CID 170829352
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
5-(2-fluorophenyl)-3-(1-methylpyrrol-2-yl)pentan-1-amine
CID 112516844
benzene;5-methylhexan-1-amine
CID 174722076

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine (CID 171212571) is (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine is Cn1cccc1[C@H](N)CCCCN.
What is the InChIKey of (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine?
The InChIKey is NVHQKPDKPSWREJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3/c1-13-8-4-6-10(13)9(12)5-2-3-7-11/h4,6,8-9H,2-3,5,7,11-12H2,1H3/t9-/m1/s1.
What are the key properties of (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine?
(1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methylpyrrol-2-yl)pentane-1,5-diamine is sourced from PubChem (CID 171212571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).