N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C20H35N — CID 43223179

IUPACN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCC3CCCCC3C1)C2
InChIInChI=1S/C20H35N/c1-19(2)16-10-11-20(19,3)18(13-16)21-17-9-8-14-6-4-5-7-15(14)12-17/h14-18,21H,4-13H2,1-3H3
InChIKeyPRNDEOOLWZAWFC-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.15
Rot. Bonds2

About N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223179) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223179
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESCC1(C)C2CCC1(C)C(NC1CCC3CCCCC3C1)C2
InChIInChI=1S/C20H35N/c1-19(2)16-10-11-20(19,3)18(13-16)21-17-9-8-14-6-4-5-7-15(14)12-17/h14-18,21H,4-13H2,1-3H3
InChIKeyPRNDEOOLWZAWFC-UHFFFAOYSA-N
XLogP5.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223179) is N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is CC1(C)C2CCC1(C)C(NC1CCC3CCCCC3C1)C2.
What is the InChIKey of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is PRNDEOOLWZAWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-19(2)16-10-11-20(19,3)18(13-16)21-17-9-8-14-6-4-5-7-15(14)12-17/h14-18,21H,4-13H2,1-3H3.
What are the key properties of N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 289.51 g/mol, XLogP of 5.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).