N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

C16H25N3 — CID 106604263

IUPACN-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cccnc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H25N3/c1-13(15-4-2-8-17-10-15)19(11-14-6-7-14)12-16-5-3-9-18-16/h2,4,8,10,13-14,16,18H,3,5-7,9,11-12H2,1H3
InChIKeyPBHJGYAJZXMHCJ-UHFFFAOYSA-N
MW259.40 g/mol
LogP2.61
Rot. Bonds6

About N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine

N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (PubChem CID 106604263) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
PubChem CID106604263
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC NameN-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
SMILESCC(c1cccnc1)N(CC1CC1)CC1CCCN1
InChIInChI=1S/C16H25N3/c1-13(15-4-2-8-17-10-15)19(11-14-6-7-14)12-16-5-3-9-18-16/h2,4,8,10,13-14,16,18H,3,5-7,9,11-12H2,1H3
InChIKeyPBHJGYAJZXMHCJ-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-methyl-1-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604235
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-3-amine
CID 10750245
N-methyl-1-pyridin-3-yl-2-pyrrolidin-2-ylethanamine
CID 116951508
2-[1-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]ethyl]benzene-1,4-diol
CID 106604519
N-(cyclopropylmethyl)-2,4-dimethyl-N-(pyrrolidin-2-ylmethyl)pentan-3-amine
CID 112743402
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
N-[(1R)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81404911
N-(cyclopropylmethyl)-2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106608618
1-(4-bromo-2-chlorophenyl)-N-(cyclopropylmethyl)-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106604340
N-[(1S)-1-pyridin-3-ylethyl]-2-pyrrolidin-2-ylacetamide
CID 81403939
N-(cyclopropylmethyl)-2-phenyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604434
N-(pyrimidin-4-ylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603001

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine (CID 106604263) is N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is CC(c1cccnc1)N(CC1CC1)CC1CCCN1.
What is the InChIKey of N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
The InChIKey is PBHJGYAJZXMHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-13(15-4-2-8-17-10-15)19(11-14-6-7-14)12-16-5-3-9-18-16/h2,4,8,10,13-14,16,18H,3,5-7,9,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine?
N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine has a molecular weight of 259.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine is sourced from PubChem (CID 106604263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).