N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C18H25N — CID 63682089

IUPACN-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCC1CC3CCC1C3)C2
InChIInChI=1S/C18H25N/c1-2-4-15-11-18(8-7-14(15)3-1)19-12-17-10-13-5-6-16(17)9-13/h1-4,13,16-19H,5-12H2
InChIKeyIWRFINTUXLTHOZ-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.57
Rot. Bonds3

About N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 63682089) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID63682089
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESc1ccc2c(c1)CCC(NCC1CC3CCC1C3)C2
InChIInChI=1S/C18H25N/c1-2-4-15-11-18(8-7-14(15)3-1)19-12-17-10-13-5-6-16(17)9-13/h1-4,13,16-19H,5-12H2
InChIKeyIWRFINTUXLTHOZ-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclobutylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43775224
N-(2-bicyclo[2.2.1]heptanylmethyl)cyclobutanamine
CID 63689763
4-[(1,2,3,4-tetrahydronaphthalen-2-ylamino)methyl]cyclohexan-1-ol
CID 106127210
N-(thian-2-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 80600159
N-(2-bicyclo[2.2.1]heptanylmethyl)cycloheptanamine
CID 61364545
3-[[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]propan-1-ol
CID 93026634
N-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 60664553
N-[(2-chlorophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 43221477
2-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 79559488
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,3-dihydro-1H-inden-2-yl)-N-ethylethanamine
CID 79561773
2-N,2-N,3-trimethyl-1-N-(1,2,3,4-tetrahydronaphthalen-2-yl)butane-1,2-diamine
CID 43434687
N-[(4-aminophenyl)methyl]-1,2,3,4-tetrahydronaphthalen-2-amine
CID 89120982

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 63682089) is N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is c1ccc2c(c1)CCC(NCC1CC3CCC1C3)C2.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is IWRFINTUXLTHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-2-4-15-11-18(8-7-14(15)3-1)19-12-17-10-13-5-6-16(17)9-13/h1-4,13,16-19H,5-12H2.
What are the key properties of N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 255.41 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 63682089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).