2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine

C17H29N3 — CID 106707925

IUPAC2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine
SMILESCC(C)(CN)CCCCN1CCCC1c1cccnc1
InChIInChI=1S/C17H29N3/c1-17(2,14-18)9-3-4-11-20-12-6-8-16(20)15-7-5-10-19-13-15/h5,7,10,13,16H,3-4,6,8-9,11-12,14,18H2,1-2H3
InChIKeyJNQWNSRBDQPUGE-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.37
Rot. Bonds7

About 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine

2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine (PubChem CID 106707925) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine
PubChem CID106707925
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine
SMILESCC(C)(CN)CCCCN1CCCC1c1cccnc1
InChIInChI=1S/C17H29N3/c1-17(2,14-18)9-3-4-11-20-12-6-8-16(20)15-7-5-10-19-13-15/h5,7,10,13,16H,3-4,6,8-9,11-12,14,18H2,1-2H3
InChIKeyJNQWNSRBDQPUGE-UHFFFAOYSA-N
XLogP3.37
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(1-pentylpiperidin-2-yl)pyridine;hydrochloride
CID 171315964
1-methyl-4-[3-(2-pyridin-3-ylpyrrolidin-1-yl)propyl]piperazine
CID 15171669
N-methyl-2-(2-pyridin-3-ylpyrrolidin-1-yl)ethanamine
CID 176918761
3-[(2R)-1-[2-[2-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]ethoxy]ethyl]pyrrolidin-2-yl]pyridine
CID 59533117
butane-1,4-diamine;3-(1-methylpyrrolidin-2-yl)pyridine
CID 174745623
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
hydron;bis(3-(1-methylpyrrolidin-2-yl)pyridine)
CID 158783488
3-(1-methyl(115N)azolidin-2-yl)pyridine
CID 11126596
3-(1-methylpyrrolidin-2-yl)pyridine;propane
CID 91386217
6-amino-4,4-dimethyl-1-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-one
CID 65290350
ethane;3-(1-methylpyrrolidin-2-yl)pyridine
CID 144528341
CID 159245541
CID 159245541

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine?
The IUPAC name of 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine (CID 106707925) is 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine.
What is the SMILES notation for 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine?
The canonical SMILES for 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine is CC(C)(CN)CCCCN1CCCC1c1cccnc1.
What is the InChIKey of 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine?
The InChIKey is JNQWNSRBDQPUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-17(2,14-18)9-3-4-11-20-12-6-8-16(20)15-7-5-10-19-13-15/h5,7,10,13,16H,3-4,6,8-9,11-12,14,18H2,1-2H3.
What are the key properties of 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine?
2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-(2-pyridin-3-ylpyrrolidin-1-yl)hexan-1-amine is sourced from PubChem (CID 106707925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).