1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine

C23H42N4 — CID 150875218

IUPAC1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine
SMILESCCCCC(N)CCCCCNCCCc1cncc([C@@H]2CCCN2C)c1
InChIInChI=1S/C23H42N4/c1-3-4-11-22(24)12-6-5-7-14-25-15-8-10-20-17-21(19-26-18-20)23-13-9-16-27(23)2/h17-19,22-23,25H,3-16,24H2,1-2H3/t22?,23-/m0/s1
InChIKeyKUWAAYVBLKKCNV-WCSIJFPASA-N
MW374.62 g/mol
LogP4.45
Rot. Bonds14

About 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine

1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine (PubChem CID 150875218) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine.

Molecular Properties

Compound Name1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine
PubChem CID150875218
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Name1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine
SMILESCCCCC(N)CCCCCNCCCc1cncc([C@@H]2CCCN2C)c1
InChIInChI=1S/C23H42N4/c1-3-4-11-22(24)12-6-5-7-14-25-15-8-10-20-17-21(19-26-18-20)23-13-9-16-27(23)2/h17-19,22-23,25H,3-16,24H2,1-2H3/t22?,23-/m0/s1
InChIKeyKUWAAYVBLKKCNV-WCSIJFPASA-N
XLogP4.45
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.62
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]butane-1,4-diamine
CID 150406951
4-amino-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]cyclohexane-1-carboxamide
CID 58537410
3-(2-isocyanoethyl)-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 58537427
2-[2-[2-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propylamino]-2-oxoethoxy]ethoxy]ethylcarbamic acid
CID 89482414
5-(1-methylpyrrolidin-2-yl)pyridin-3-amine
CID 22336401
3-iodo-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine;sulfane
CID 162140698
3-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5-pentylpyridine
CID 67615056
3-(5-bromo-3-pyridinyl)-N-propylpropan-1-amine
CID 104810395
3-ethynyl-5-[(2R)-1-methylpyrrolidin-2-yl]pyridine
CID 10559473
3-(1-methylpyrrolidin-2-yl)pyridine;1-octyl-2H-pyridine
CID 175837017
N-butyl-5-(1-methylpyrrolidin-2-yl)pyridin-2-amine
CID 102540283
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217

Frequently Asked Questions

What is the IUPAC name of 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine?
The IUPAC name of 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine (CID 150875218) is 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine.
What is the SMILES notation for 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine?
The canonical SMILES for 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine is CCCCC(N)CCCCCNCCCc1cncc([C@@H]2CCCN2C)c1.
What is the InChIKey of 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine?
The InChIKey is KUWAAYVBLKKCNV-WCSIJFPASA-N. The full InChI is InChI=1S/C23H42N4/c1-3-4-11-22(24)12-6-5-7-14-25-15-8-10-20-17-21(19-26-18-20)23-13-9-16-27(23)2/h17-19,22-23,25H,3-16,24H2,1-2H3/t22?,23-/m0/s1.
What are the key properties of 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine?
1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine has a molecular weight of 374.62 g/mol, XLogP of 4.45, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[3-[5-[(2S)-1-methylpyrrolidin-2-yl]-3-pyridinyl]propyl]decane-1,6-diamine is sourced from PubChem (CID 150875218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).