N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine

C17H32N2 — CID 67593437

IUPACN-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CNC(C)(C)C)CC2C=CC1C2
InChIInChI=1S/C17H32N2/c1-15(2,3)18-11-17(12-19-16(4,5)6)10-13-7-8-14(17)9-13/h7-8,13-14,18-19H,9-12H2,1-6H3
InChIKeyHBUCVAJRQLILBZ-UHFFFAOYSA-N
MW264.46 g/mol
LogP3.35
Rot. Bonds4

About N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine

N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine (PubChem CID 67593437) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
PubChem CID67593437
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1(CNC(C)(C)C)CC2C=CC1C2
InChIInChI=1S/C17H32N2/c1-15(2,3)18-11-17(12-19-16(4,5)6)10-13-7-8-14(17)9-13/h7-8,13-14,18-19H,9-12H2,1-6H3
InChIKeyHBUCVAJRQLILBZ-UHFFFAOYSA-N
XLogP3.35
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-butyl-2-bicyclo[2.2.1]hept-5-enyl)methanol
CID 139996139
2'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,1'-cyclopropane]
CID 91139857
2-pentan-3-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650746
2-pentan-2-ylbicyclo[2.2.1]hept-5-en-2-ol
CID 164650747
1,1,1,3,3,3-hexafluoro-2-[[(2S)-2-methyl-2-bicyclo[2.2.1]hept-5-enyl]methyl]propan-2-ol
CID 162591064
(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)phosphane
CID 126626959
[2-[3-[2-(carbamoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]-2-oxopropyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl carbamate
CID 70512136
5-chloro-5-propylbicyclo[2.2.1]hept-2-ene
CID 21396934
[2-(heptanoyloxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methyl heptanoate
CID 102393981
2-methyl-N-[[2-(3-methylbutyl)-2-bicyclo[2.2.1]heptanyl]methyl]propan-2-amine
CID 63521306
(1R,2S,4S)-2-methylbicyclo[2.2.1]hept-5-ene-2-carbonitrile
CID 102497052
2-aminobicyclo[2.2.1]hept-5-en-2-ol
CID 89311191

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine (CID 67593437) is N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1(CNC(C)(C)C)CC2C=CC1C2.
What is the InChIKey of N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine?
The InChIKey is HBUCVAJRQLILBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2/c1-15(2,3)18-11-17(12-19-16(4,5)6)10-13-7-8-14(17)9-13/h7-8,13-14,18-19H,9-12H2,1-6H3.
What are the key properties of N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine?
N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.46 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(tert-butylamino)methyl]-2-bicyclo[2.2.1]hept-5-enyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 67593437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).