2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine

C14H22N2 — CID 114698819

IUPAC2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccncc1C
InChIInChI=1S/C14H22N2/c1-3-12-5-4-6-14(12)16-10-13-7-8-15-9-11(13)2/h7-9,12,14,16H,3-6,10H2,1-2H3
InChIKeyXTFVOVWYYJWXKF-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.06
Rot. Bonds4

About 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine

2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine (PubChem CID 114698819) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
PubChem CID114698819
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
SMILESCCC1CCCC1NCc1ccncc1C
InChIInChI=1S/C14H22N2/c1-3-12-5-4-6-14(12)16-10-13-7-8-15-9-11(13)2/h7-9,12,14,16H,3-6,10H2,1-2H3
InChIKeyXTFVOVWYYJWXKF-UHFFFAOYSA-N
XLogP3.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448832
3-[(3-methyl-4-pyridinyl)methylamino]cyclohexane-1-carboxylic acid
CID 114699082
2-ethyl-N-(1,3-thiazol-5-ylmethyl)cyclopentan-1-amine
CID 115732788
2,4,4-trimethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclohexan-1-amine
CID 114698950
2-ethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 115724522
3-methyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine
CID 114699208
2-ethyl-N-[(3-ethyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 113483486
(1R,5S,6R,7S)-N-[(3-methyl-4-pyridinyl)methyl]-7-phenylbicyclo[3.2.0]heptan-6-amine
CID 51587201
1-methyl-N-[(3-methyl-4-pyridinyl)methyl]piperidin-3-amine
CID 114699054
3-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]spiro[3.4]octan-1-amine
CID 114699252
2-ethyl-N-[(2-methoxy-4-pyridinyl)methyl]cyclopentan-1-amine
CID 113260129
N-[(3-methyl-4-pyridinyl)methyl]-4-phenylcyclohexan-1-amine
CID 114698974

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine (CID 114698819) is 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine is CCC1CCCC1NCc1ccncc1C.
What is the InChIKey of 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine?
The InChIKey is XTFVOVWYYJWXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-3-12-5-4-6-14(12)16-10-13-7-8-15-9-11(13)2/h7-9,12,14,16H,3-6,10H2,1-2H3.
What are the key properties of 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine?
2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(3-methyl-4-pyridinyl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 114698819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).