N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine

C9H18N2 — CID 117125540

IUPACN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCNC1
InChIInChI=1S/C9H18N2/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10-11H,3,5-7H2,1-2H3
InChIKeyBHAXZOKLORQRIO-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.90
Rot. Bonds3

About N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine

N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine (PubChem CID 117125540) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine
PubChem CID117125540
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine
SMILESCC(C)NCC1=CCCNC1
InChIInChI=1S/C9H18N2/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10-11H,3,5-7H2,1-2H3
InChIKeyBHAXZOKLORQRIO-UHFFFAOYSA-N
XLogP0.90
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
N'-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]propane-1,3-diamine
CID 90126664
N'-(3,7-dimethylocta-2,6-dienyl)propane-1,3-diamine
CID 123140737
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
1-(1-Methyl-1,2,3,6-tetrahydropyridin-4-yl)ethan-1-amine
CID 71758631
N'-[3-[[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]amino]propyl]propane-1,3-diamine
CID 156019832
N'-[(6Z)-3,7,11-trimethyldodeca-2,6,10-trienyl]propane-1,3-diamine
CID 156020292
5-Methyl-1,2,3,6-tetrahydropyridine
CID 5250455
(2S,6R)-4-methyl-2,6-bis(prop-2-enyl)-1,2,3,6-tetrahydropyridine
CID 1272098
2,6-Bis-(2-methyl-allyl)-1,2,3,6-tetrahydro-pyridine
CID 3123936

Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine?
The IUPAC name of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine (CID 117125540) is N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine?
The canonical SMILES for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine is CC(C)NCC1=CCCNC1.
What is the InChIKey of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine?
The InChIKey is BHAXZOKLORQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-8(2)11-7-9-4-3-5-10-6-9/h4,8,10-11H,3,5-7H2,1-2H3.
What are the key properties of N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine?
N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine has a molecular weight of 154.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,6-tetrahydropyridin-5-ylmethyl)propan-2-amine is sourced from PubChem (CID 117125540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).