N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C14H24N2 — CID 62311570

IUPACN-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC#CCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2/c1-3-5-9-16(8-4-2)14-10-12-6-7-13(11-14)15-12/h12-15H,4,6-11H2,1-2H3
InChIKeyLCCIKFDMRIKSRT-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.00
Rot. Bonds4

About N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62311570) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62311570
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCC#CCN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2/c1-3-5-9-16(8-4-2)14-10-12-6-7-13(11-14)15-12/h12-15H,4,6-11H2,1-2H3
InChIKeyLCCIKFDMRIKSRT-UHFFFAOYSA-N
XLogP2.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 66046934
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
N-propan-2-yl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61232461
N-(4-methoxybutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 113437024
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 54957813
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
N-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-[(3,5-difluorophenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 105404880
N-[3-(2-methoxyethoxy)propyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103411042
N-[2-(3-methoxypropoxy)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 103181573
N-[(2-ethylphenyl)methyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62415870

Frequently Asked Questions

What is the IUPAC name of N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62311570) is N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CC#CCN(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is LCCIKFDMRIKSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-9-16(8-4-2)14-10-12-6-7-13(11-14)15-12/h12-15H,4,6-11H2,1-2H3.
What are the key properties of N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 220.36 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62311570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).