N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine

C17H32N2 — CID 114460805

IUPACN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2/c1-5-6-16(13-18-15-7-8-15)19-11-9-14(10-12-19)17(2,3)4/h9,15-16,18H,5-8,10-13H2,1-4H3
InChIKeyVEMDGCTZZHIYRC-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.59
Rot. Bonds6

About N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine

N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine (PubChem CID 114460805) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
PubChem CID114460805
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
SMILESCCCC(CNC1CC1)N1CC=C(C(C)(C)C)CC1
InChIInChI=1S/C17H32N2/c1-5-6-16(13-18-15-7-8-15)19-11-9-14(10-12-19)17(2,3)4/h9,15-16,18H,5-8,10-13H2,1-4H3
InChIKeyVEMDGCTZZHIYRC-UHFFFAOYSA-N
XLogP3.59
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
N-[3-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]cyclopropanamine
CID 114490726
N-[2-(3-methylpyrrolidin-1-yl)pentyl]cyclopropanamine
CID 83054279
N-[2-(4-propylpiperazin-1-yl)pentyl]cyclopropanamine
CID 83043627
N-[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)pentyl]cyclopropanamine
CID 83053975
N-methyl-2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)pentan-1-amine
CID 114413301
N-[2-(4-ethyl-4-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 83054777
2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-propylpentan-1-amine
CID 114413146
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-methyl-N-(2-methylpropyl)butan-1-amine
CID 114460914
N-tert-butyl-2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]butan-1-amine
CID 114490704
N-[2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)pentyl]cyclopropanamine
CID 83055066

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine (CID 114460805) is N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine is CCCC(CNC1CC1)N1CC=C(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine?
The InChIKey is VEMDGCTZZHIYRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-5-6-16(13-18-15-7-8-15)19-11-9-14(10-12-19)17(2,3)4/h9,15-16,18H,5-8,10-13H2,1-4H3.
What are the key properties of N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine?
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine has a molecular weight of 264.46 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine is sourced from PubChem (CID 114460805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).