1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine

C18H27N — CID 55243443

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
SMILESNC1(CC2CCCc3ccccc32)CCCCCC1
InChIInChI=1S/C18H27N/c19-18(12-5-1-2-6-13-18)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16H,1-2,5-7,9-10,12-14,19H2
InChIKeyCPYBYEGKFYVXCM-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.55
Rot. Bonds2

About 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine (PubChem CID 55243443) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
PubChem CID55243443
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
SMILESNC1(CC2CCCc3ccccc32)CCCCCC1
InChIInChI=1S/C18H27N/c19-18(12-5-1-2-6-13-18)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16H,1-2,5-7,9-10,12-14,19H2
InChIKeyCPYBYEGKFYVXCM-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469
4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772300
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
CID 64551489
2-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)azepane
CID 79117995
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-amino-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexane-1-carboxamide
CID 119291485
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)-2,3-dihydroinden-1-ol
CID 63772638
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)pyrrolidin-3-ol
CID 63772132
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1,1-dioxo-3-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)thiolan-3-ol
CID 55243248

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine (CID 55243443) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine is NC1(CC2CCCc3ccccc32)CCCCCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine?
The InChIKey is CPYBYEGKFYVXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c19-18(12-5-1-2-6-13-18)14-16-10-7-9-15-8-3-4-11-17(15)16/h3-4,8,11,16H,1-2,5-7,9-10,12-14,19H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 55243443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).