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

C15H29N3 — CID 62513450

IUPACN-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C2CCN(C3CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-2-7-16-10-13-5-8-17(11-13)15-6-9-18(12-15)14-3-4-14/h13-16H,2-12H2,1H3
InChIKeyKRDQDPCIUBKDSC-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds6

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

N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine (PubChem CID 62513450) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
PubChem CID62513450
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine
SMILESCCCNCC1CCN(C2CCN(C3CC3)C2)C1
InChIInChI=1S/C15H29N3/c1-2-7-16-10-13-5-8-17(11-13)15-6-9-18(12-15)14-3-4-14/h13-16H,2-12H2,1H3
InChIKeyKRDQDPCIUBKDSC-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine (CID 62513450) is N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine is CCCNCC1CCN(C2CCN(C3CC3)C2)C1.
What is the InChIKey of N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
The InChIKey is KRDQDPCIUBKDSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-2-7-16-10-13-5-8-17(11-13)15-6-9-18(12-15)14-3-4-14/h13-16H,2-12H2,1H3.
What are the key properties of N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine?
N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-cyclopropylpyrrolidin-3-yl)pyrrolidin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62513450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).