N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine

C10H17N3 — CID 144768522

IUPACN-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine
SMILESC1=CN/C(=N/C[C@@H]2CCCN2)CC1
InChIInChI=1S/C10H17N3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h2,6,9,11H,1,3-5,7-8H2,(H,12,13)/t9-/m0/s1
InChIKeyMLQLGDCSNHUPMY-VIFPVBQESA-N
MW179.27 g/mol
LogP1.03
Rot. Bonds2

About N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine

N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine (PubChem CID 144768522) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine.

Molecular Properties

Compound NameN-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine
PubChem CID144768522
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine
SMILESC1=CN/C(=N/C[C@@H]2CCCN2)CC1
InChIInChI=1S/C10H17N3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h2,6,9,11H,1,3-5,7-8H2,(H,12,13)/t9-/m0/s1
InChIKeyMLQLGDCSNHUPMY-VIFPVBQESA-N
XLogP1.03
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-(4,5-dihydro-1H-imidazol-2-yl)-N-prop-2-enylpent-4-en-1-amine
CID 69634165
1-(4,5-dihydro-1H-imidazol-2-yl)pent-4-en-1-amine
CID 70618628
1-butan-2-yl-N'-methyl-N-prop-1-enylpyrrolidine-2-carboximidamide
CID 123950440
1-[4-(1-aminoethyl)-3,4-dihydropyridin-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 129077412
2-(3,4-dihydro-1H-pyridin-2-ylideneamino)-N-ethylethanamine
CID 137062013
N-cyclopentyl-3,4-dihydro-1H-pyridin-2-imine
CID 163469706
2-[(2R)-pyrrolidin-2-yl]-1,4-dihydropyrimidine
CID 163548759
(8aS)-1,2,3,5,8,8a-hexahydropyrido[2,3-b]pyrazine
CID 166801110
N'-[(E)-prop-1-enyl]pyrrolidine-2-carboximidamide
CID 144443719

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine?
The IUPAC name of N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine (CID 144768522) is N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine.
What is the SMILES notation for N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine?
The canonical SMILES for N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine is C1=CN/C(=N/C[C@@H]2CCCN2)CC1.
What is the InChIKey of N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine?
The InChIKey is MLQLGDCSNHUPMY-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h2,6,9,11H,1,3-5,7-8H2,(H,12,13)/t9-/m0/s1.
What are the key properties of N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine?
N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine has a molecular weight of 179.27 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-pyrrolidin-2-yl]methyl]-3,4-dihydro-1H-pyridin-2-imine is sourced from PubChem (CID 144768522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).