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

C18H27N3 — CID 114460779

IUPACN-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C18H27N3/c1-18(2,3)14-7-10-21(11-8-14)17-6-9-19-16(12-17)13-20-15-4-5-15/h6-7,9,12,15,20H,4-5,8,10-11,13H2,1-3H3
InChIKeyJHASAZGMOBLMIG-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.52
Rot. Bonds4

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

N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 114460779) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID114460779
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC NameN-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(c2ccnc(CNC3CC3)c2)CC1
InChIInChI=1S/C18H27N3/c1-18(2,3)14-7-10-21(11-8-14)17-6-9-19-16(12-17)13-20-15-4-5-15/h6-7,9,12,15,20H,4-5,8,10-11,13H2,1-3H3
InChIKeyJHASAZGMOBLMIG-UHFFFAOYSA-N
XLogP3.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pyrazin-2-yl]methyl]cyclopropanamine
CID 114460782
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284581
N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62281766
N-[[6-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pyridazin-3-yl]methyl]cyclopropanamine
CID 114490536
[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methanamine
CID 114412650
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62293572
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
CID 114460915
[4-(4-tert-butylpiperidin-1-yl)-2-pyridinyl]methanamine
CID 62298748
2-methyl-N-[[4-(4-methylpiperazin-1-yl)-2-pyridinyl]methyl]propan-2-amine
CID 62285764
N-[[4-(3,4-dimethylpiperazin-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 63621956

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 114460779) is N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is CC(C)(C)C1=CCN(c2ccnc(CNC3CC3)c2)CC1.
What is the InChIKey of N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is JHASAZGMOBLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-18(2,3)14-7-10-21(11-8-14)17-6-9-19-16(12-17)13-20-15-4-5-15/h6-7,9,12,15,20H,4-5,8,10-11,13H2,1-3H3.
What are the key properties of N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 285.43 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114460779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).