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

C16H30N2 — CID 114460915

IUPACN-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C16H30N2/c1-16(2,3)14-8-12-18(13-9-14)11-5-4-10-17-15-6-7-15/h8,15,17H,4-7,9-13H2,1-3H3
InChIKeyYCPVWJZNGIJNIJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.20
Rot. Bonds6

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

N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine (PubChem CID 114460915) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
PubChem CID114460915
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC NameN-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine
SMILESCC(C)(C)C1=CCN(CCCCNC2CC2)CC1
InChIInChI=1S/C16H30N2/c1-16(2,3)14-8-12-18(13-9-14)11-5-4-10-17-15-6-7-15/h8,15,17H,4-7,9-13H2,1-3H3
InChIKeyYCPVWJZNGIJNIJ-UHFFFAOYSA-N
XLogP3.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propyl]cyclopropanamine
CID 114410849
N-[2-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]cyclopropanamine
CID 114490100
N-[6-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]hexyl]cyclopropanamine
CID 114413385
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]prop-2-en-1-amine
CID 114460331
1-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperidin-4-amine
CID 114460287
N-[4-(4-propylpiperazin-1-yl)butyl]cyclopropanamine
CID 62424326
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]cyclopentan-1-amine
CID 114460259
N-[4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butyl]cyclopropanamine
CID 63153176
N-(2-methylpropyl)-5-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]pentan-1-amine
CID 114490623
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-propylhexan-1-amine
CID 114460413
N-[2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]cyclopropanamine
CID 114460805
N-[5-(azocan-1-yl)pentyl]cyclopropanamine
CID 55070436

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine (CID 114460915) is N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine is CC(C)(C)C1=CCN(CCCCNC2CC2)CC1.
What is the InChIKey of N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine?
The InChIKey is YCPVWJZNGIJNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-16(2,3)14-8-12-18(13-9-14)11-5-4-10-17-15-6-7-15/h8,15,17H,4-7,9-13H2,1-3H3.
What are the key properties of N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine?
N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine has a molecular weight of 250.43 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 114460915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).