N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine

C15H28N2 — CID 79554930

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
SMILESC1CCN(CCNCC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h13-16H,1-12H2
InChIKeyUICHHJLBAOPQQG-UHFFFAOYSA-N
MW236.40 g/mol
LogP2.50
Rot. Bonds5

About N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine

N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine (PubChem CID 79554930) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
PubChem CID79554930
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine
SMILESC1CCN(CCNCC2CC3CCC2C3)CC1
InChIInChI=1S/C15H28N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h13-16H,1-12H2
InChIKeyUICHHJLBAOPQQG-UHFFFAOYSA-N
XLogP2.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bicyclo[2.2.1]heptanylmethyl)-3-morpholin-4-ylpropan-1-amine
CID 79554753
2-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methylamino]ethanethiol
CID 129374501
trans-(1S,2S)-2-[(2-pyrrolidin-1-ylethylamino)methyl]cyclohexan-1-amine
CID 66594466
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-chloropentan-1-amine
CID 107319933
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylsulfonylethanamine
CID 63683685
N-[2-[4-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperazin-1-yl]ethyl]cyclobutanecarboxamide
CID 71932197
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
2-(2-bicyclo[2.2.1]heptanylmethylamino)-N-cycloheptylacetamide
CID 63683149
[2-[(2-bicyclo[2.2.1]heptanylmethylamino)methyl]cyclohexyl]methanol
CID 79551480
N-(2-bicyclo[2.2.1]heptanylmethyl)-N'-(2-methylpropyl)propane-1,3-diamine
CID 113410499

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine (CID 79554930) is N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine is C1CCN(CCNCC2CC3CCC2C3)CC1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine?
The InChIKey is UICHHJLBAOPQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-7-17(8-3-1)9-6-16-12-15-11-13-4-5-14(15)10-13/h13-16H,1-12H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine has a molecular weight of 236.40 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 79554930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).