1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine

C16H30N2 — CID 113302649

IUPAC1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
SMILESCN1CCCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1
InChIInChI=1S/C16H30N2/c1-15(2)12-7-8-16(3,10-12)14(15)17-13-6-5-9-18(4)11-13/h12-14,17H,5-11H2,1-4H3/t12-,13?,14?,16+/m0/s1
InChIKeyOEUIKWCQCKXHOC-WLIAPVHPSA-N
MW250.43 g/mol
LogP2.88
Rot. Bonds2

About 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine

1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine (PubChem CID 113302649) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine.

Molecular Properties

Compound Name1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
PubChem CID113302649
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine
SMILESCN1CCCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1
InChIInChI=1S/C16H30N2/c1-15(2)12-7-8-16(3,10-12)14(15)17-13-6-5-9-18(4)11-13/h12-14,17H,5-11H2,1-4H3/t12-,13?,14?,16+/m0/s1
InChIKeyOEUIKWCQCKXHOC-WLIAPVHPSA-N
XLogP2.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine?
The IUPAC name of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine (CID 113302649) is 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine.
What is the SMILES notation for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine?
The canonical SMILES for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine is CN1CCCC(NC2C(C)(C)[C@H]3CC[C@]2(C)C3)C1.
What is the InChIKey of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine?
The InChIKey is OEUIKWCQCKXHOC-WLIAPVHPSA-N. The full InChI is InChI=1S/C16H30N2/c1-15(2)12-7-8-16(3,10-12)14(15)17-13-6-5-9-18(4)11-13/h12-14,17H,5-11H2,1-4H3/t12-,13?,14?,16+/m0/s1.
What are the key properties of 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine?
1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine has a molecular weight of 250.43 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]piperidin-3-amine is sourced from PubChem (CID 113302649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).