N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine

C13H26N2 — CID 60855645

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H26N2/c1-3-4-11(2)14-9-12-7-8-15(10-12)13-5-6-13/h11-14H,3-10H2,1-2H3
InChIKeyKLFYBJYPRHYDQQ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds6

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine (PubChem CID 60855645) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
PubChem CID60855645
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H26N2/c1-3-4-11(2)14-9-12-7-8-15(10-12)13-5-6-13/h11-14H,3-10H2,1-2H3
InChIKeyKLFYBJYPRHYDQQ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine (CID 60855645) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine is CCCC(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine?
The InChIKey is KLFYBJYPRHYDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-4-11(2)14-9-12-7-8-15(10-12)13-5-6-13/h11-14H,3-10H2,1-2H3.
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 60855645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).