[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine

C19H29N — CID 81010954

IUPAC[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C19H29N/c20-14-18-9-3-1-2-8-16(18)13-17-11-6-10-15-7-4-5-12-19(15)17/h4-5,7,12,16-18H,1-3,6,8-11,13-14,20H2
InChIKeyJTDJYJVHTKNZKJ-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.65
Rot. Bonds3

About [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine

[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine (PubChem CID 81010954) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
PubChem CID81010954
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
SMILESNCC1CCCCCC1CC1CCCc2ccccc21
InChIInChI=1S/C19H29N/c20-14-18-9-3-1-2-8-16(18)13-17-11-6-10-15-7-4-5-12-19(15)17/h4-5,7,12,16-18H,1-3,6,8-11,13-14,20H2
InChIKeyJTDJYJVHTKNZKJ-UHFFFAOYSA-N
XLogP4.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(2-chlorocycloheptyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63772319
N-methyl-1-[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine
CID 81028858
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]methanamine;hydrochloride
CID 171991657
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
1-(iodomethyl)-1,2,3,4-tetrahydronaphthalene
CID 2763030
N-propyl-2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cyclopentan-1-amine
CID 63771818
1-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptan-1-amine
CID 55243443
2-(1,2,3,4-tetrahydronaphthalen-1-ylmethylsulfanyl)ethanamine
CID 63772452
N'-(2-aminoethyl)-N'-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)ethane-1,2-diamine
CID 55242274
1-cycloheptyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 115778435
1-(2-aminocycloheptyl)-2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 116595122

Frequently Asked Questions

What is the IUPAC name of [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The IUPAC name of [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine (CID 81010954) is [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine.
What is the SMILES notation for [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The canonical SMILES for [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine is NCC1CCCCCC1CC1CCCc2ccccc21.
What is the InChIKey of [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
The InChIKey is JTDJYJVHTKNZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c20-14-18-9-3-1-2-8-16(18)13-17-11-6-10-15-7-4-5-12-19(15)17/h4-5,7,12,16-18H,1-3,6,8-11,13-14,20H2.
What are the key properties of [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine?
[2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine has a molecular weight of 271.45 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)cycloheptyl]methanamine is sourced from PubChem (CID 81010954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).