N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H25N3 — CID 106616436

IUPACN-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1ccc(CCN(CC2CC2)CC2CCCN2)nc1
InChIInChI=1S/C16H25N3/c1-2-9-17-15(4-1)8-11-19(12-14-6-7-14)13-16-5-3-10-18-16/h1-2,4,9,14,16,18H,3,5-8,10-13H2
InChIKeyDODJMTXLLNXRDS-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.09
Rot. Bonds7

About N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106616436) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106616436
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESc1ccc(CCN(CC2CC2)CC2CCCN2)nc1
InChIInChI=1S/C16H25N3/c1-2-9-17-15(4-1)8-11-19(12-14-6-7-14)13-16-5-3-10-18-16/h1-2,4,9,14,16,18H,3,5-8,10-13H2
InChIKeyDODJMTXLLNXRDS-UHFFFAOYSA-N
XLogP2.09
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyridin-2-yl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 28599662
N-methyl-N-[[(2R)-piperidin-2-yl]methyl]-2-pyridin-2-ylethanamine
CID 28599674
N-(piperidin-3-ylmethyl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 106640814
N-ethyl-3-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 106608852
N-propan-2-yl-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide
CID 106607621
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
N-ethyl-N-(piperidin-2-ylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 106630345
N-[(4-ethylpiperidin-2-yl)methyl]-N-methyl-2-pyridin-2-ylethanamine
CID 114430704
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
1-cyclopropyl-N-[(2-cyclopropylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604598
N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]-2-pyrrolidin-2-ylacetamide;dihydrochloride
CID 119873338

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106616436) is N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is c1ccc(CCN(CC2CC2)CC2CCCN2)nc1.
What is the InChIKey of N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is DODJMTXLLNXRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-2-9-17-15(4-1)8-11-19(12-14-6-7-14)13-16-5-3-10-18-16/h1-2,4,9,14,16,18H,3,5-8,10-13H2.
What are the key properties of N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106616436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).