N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine

C14H29N3 — CID 106019257

IUPACN-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2CCCN2C)C1
InChIInChI=1S/C14H29N3/c1-3-7-15-10-13-6-9-17(11-13)12-14-5-4-8-16(14)2/h13-15H,3-12H2,1-2H3
InChIKeyZWXCDPNOXYWFKC-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds6

About N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine

N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 106019257) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID106019257
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(CC2CCCN2C)C1
InChIInChI=1S/C14H29N3/c1-3-7-15-10-13-6-9-17(11-13)12-14-5-4-8-16(14)2/h13-15H,3-12H2,1-2H3
InChIKeyZWXCDPNOXYWFKC-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-[2-(1-methylpiperidin-2-yl)ethyl]piperidin-3-yl]methyl]propan-1-amine
CID 107912651
N-[[1-[(1,4-dimethylpiperazin-2-yl)methyl]pyrrolidin-3-yl]methyl]ethanamine
CID 63897637
N-[[1-(cyclopropylmethyl)piperidin-4-yl]methyl]propan-1-amine
CID 62591685
N-[[1-(2-methoxyethyl)piperidin-3-yl]methyl]propan-1-amine
CID 62581675
N-[[1-(3-pyrrolidin-1-ylpropyl)piperidin-3-yl]methyl]propan-1-amine
CID 62582031
N-[(1-decylpiperidin-3-yl)methyl]propan-1-amine
CID 63528370
N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]propan-1-amine
CID 60855135
N-[(1-ethylpiperidin-4-yl)methyl]-2-(1-methylpiperidin-2-yl)ethanamine
CID 62416081
N-[2-[1-[2-(cyclobutylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]propan-1-amine
CID 83963196
(3S)-1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-ol
CID 127014895
1-[(1-methylpyrrolidin-2-yl)methyl]piperidin-3-amine
CID 106021248
(2S)-1-methyl-2-(pyrrolidin-1-ylmethyl)pyrrolidine
CID 10920923

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine (CID 106019257) is N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(CC2CCCN2C)C1.
What is the InChIKey of N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is ZWXCDPNOXYWFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-7-15-10-13-6-9-17(11-13)12-14-5-4-8-16(14)2/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 106019257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).