N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

C16H29N3 — CID 106621804

IUPACN-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESC1CCC(CN(C2CC2)C2CCN3CCC2C3)NC1
InChIInChI=1S/C16H29N3/c1-2-8-17-14(3-1)12-19(15-4-5-15)16-7-10-18-9-6-13(16)11-18/h13-17H,1-12H2
InChIKeyVFVHUOHMWMPYKS-UHFFFAOYSA-N
MW263.43 g/mol
LogP1.69
Rot. Bonds4

About N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine

N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 106621804) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID106621804
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESC1CCC(CN(C2CC2)C2CCN3CCC2C3)NC1
InChIInChI=1S/C16H29N3/c1-2-8-17-14(3-1)12-19(15-4-5-15)16-7-10-18-9-6-13(16)11-18/h13-17H,1-12H2
InChIKeyVFVHUOHMWMPYKS-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-1-ethyl-N-(piperidin-2-ylmethyl)piperidin-4-amine
CID 106621721
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 106621790
N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)cycloheptanamine
CID 106598991
N-cyclopropyl-2-methyl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106599133
N-cyclopropyl-5-methyl-N-(piperidin-2-ylmethyl)-2-propan-2-ylcyclohexan-1-amine
CID 106621811
N-cyclopropyl-3-methoxy-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 106631554
N-cyclopropyl-N-(piperidin-2-ylmethyl)acetamide
CID 66569474
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621678
N-cyclopropyl-3-(2-methylpropyl)-N-(piperidin-2-ylmethyl)cyclohexan-1-amine
CID 107429472
N-cyclopropyl-N-(piperidin-2-ylmethyl)-3,4-dihydro-2H-thiochromen-4-amine
CID 106621816
N-(cyclobutylmethyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621852
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-piperidin-2-ylethanesulfonamide
CID 60865459

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine (CID 106621804) is N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is C1CCC(CN(C2CC2)C2CCN3CCC2C3)NC1.
What is the InChIKey of N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is VFVHUOHMWMPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-2-8-17-14(3-1)12-19(15-4-5-15)16-7-10-18-9-6-13(16)11-18/h13-17H,1-12H2.
What are the key properties of N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine?
N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 263.43 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(piperidin-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 106621804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).