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

C19H29NO — CID 64551489

IUPAC1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCC2CCCc3ccccc32)CCCCCC1
InChIInChI=1S/C19H29NO/c20-19(12-5-1-2-6-13-19)15-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,8,11,17H,1-2,5-7,9-10,12-15,20H2
InChIKeyQNFWGZNYIUGEQH-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.17
Rot. Bonds4

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

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine (PubChem CID 64551489) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
PubChem CID64551489
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine
SMILESNC1(COCC2CCCc3ccccc32)CCCCCC1
InChIInChI=1S/C19H29NO/c20-19(12-5-1-2-6-13-19)15-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,8,11,17H,1-2,5-7,9-10,12-15,20H2
InChIKeyQNFWGZNYIUGEQH-UHFFFAOYSA-N
XLogP4.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63772469
1-(3,4-dihydro-1H-isochromen-1-ylmethoxymethyl)cyclohexan-1-amine
CID 64574632
3-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)pentan-3-amine
CID 64573367
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)piperidine
CID 63771604
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
N-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)ethyl]propan-1-amine
CID 63771953
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
4-propyl-1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclohexan-1-amine
CID 63772300

Frequently Asked Questions

What is the IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine?
The IUPAC name of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine (CID 64551489) is 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine is NC1(COCC2CCCc3ccccc32)CCCCCC1.
What is the InChIKey of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine?
The InChIKey is QNFWGZNYIUGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c20-19(12-5-1-2-6-13-19)15-21-14-17-10-7-9-16-8-3-4-11-18(16)17/h3-4,8,11,17H,1-2,5-7,9-10,12-15,20H2.
What are the key properties of 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine?
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine has a molecular weight of 287.45 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxymethyl)cycloheptan-1-amine is sourced from PubChem (CID 64551489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).