(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

C16H27N3 — CID 103005369

IUPAC(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H27N3/c1-15(2)12-5-8-16(3,11-12)14(15)17-9-6-13-7-10-18-19(13)4/h7,10,12,14,17H,5-6,8-9,11H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyGEWLIHRMGAUGHZ-RAAOQPIXSA-N
MW261.41 g/mol
LogP2.77
Rot. Bonds4

About (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine

(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (PubChem CID 103005369) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound Name(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
PubChem CID103005369
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
SMILESCn1nccc1CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2
InChIInChI=1S/C16H27N3/c1-15(2)12-5-8-16(3,11-12)14(15)17-9-6-13-7-10-18-19(13)4/h7,10,12,14,17H,5-6,8-9,11H2,1-4H3/t12-,14?,16+/m0/s1
InChIKeyGEWLIHRMGAUGHZ-RAAOQPIXSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694248
2,2-dimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopentan-1-amine
CID 104695058
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylphenyl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 115400894
3,3,5-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694448
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropan-1-amine
CID 103001291
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclopentan-1-ol
CID 103006299
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
1-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-4-amine
CID 104694957
2-ethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 113442329
N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 104695103
2-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]oxan-4-amine
CID 104694550
2-tert-butyl-N-[2-(2-methylpyrazol-3-yl)ethyl]cyclohexan-1-amine
CID 104694927

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The IUPAC name of (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine (CID 103005369) is (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is Cn1nccc1CCNC1C(C)(C)[C@H]2CC[C@]1(C)C2.
What is the InChIKey of (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
The InChIKey is GEWLIHRMGAUGHZ-RAAOQPIXSA-N. The full InChI is InChI=1S/C16H27N3/c1-15(2)12-5-8-16(3,11-12)14(15)17-9-6-13-7-10-18-19(13)4/h7,10,12,14,17H,5-6,8-9,11H2,1-4H3/t12-,14?,16+/m0/s1.
What are the key properties of (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine?
(1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine has a molecular weight of 261.41 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-1,3,3-trimethyl-N-[2-(2-methylpyrazol-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 103005369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).