N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H28N2 — CID 66046934

IUPACN-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(CC)CN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-4-8-17(11-12(3)5-2)15-9-13-6-7-14(10-15)16-13/h13-16H,3-11H2,1-2H3
InChIKeyYXEGWELYIRGWNO-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.95
Rot. Bonds6

About N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 66046934) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID66046934
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(CC)CN(CCC)C1CC2CCC(C1)N2
InChIInChI=1S/C15H28N2/c1-4-8-17(11-12(3)5-2)15-9-13-6-7-14(10-15)16-13/h13-16H,3-11H2,1-2H3
InChIKeyYXEGWELYIRGWNO-UHFFFAOYSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.95
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-pentyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230427
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-butylacetamide
CID 61485502
N-but-2-ynyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 62311570
N-hept-6-enyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 107007984
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
2-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-N-(2-cyanoethyl)acetamide
CID 61231372
2-[[cyclopropyl(propyl)amino]methyl]prop-2-ene-1-thiol
CID 103073276
3-[8-azabicyclo[3.2.1]octan-3-yl(propyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 104645056
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-benzyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61231305
N-(cyclopropylmethyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61233017

Frequently Asked Questions

What is the IUPAC name of N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 66046934) is N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is C=C(CC)CN(CCC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is YXEGWELYIRGWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-4-8-17(11-12(3)5-2)15-9-13-6-7-14(10-15)16-13/h13-16H,3-11H2,1-2H3.
What are the key properties of N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 236.40 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylidenebutyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 66046934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).