(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

C17H26N2 — CID 66663494

IUPAC(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2cc(CN3CCCCCC3)ccc2C1
InChIInChI=1S/C17H26N2/c18-17-8-7-15-11-14(5-6-16(15)12-17)13-19-9-3-1-2-4-10-19/h5-6,11,17H,1-4,7-10,12-13,18H2/t17-/m0/s1
InChIKeyQXFOJRPGKVXTIW-KRWDZBQOSA-N
MW258.41 g/mol
LogP2.88
Rot. Bonds2

About (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine

(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (PubChem CID 66663494) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
PubChem CID66663494
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
SMILESN[C@H]1CCc2cc(CN3CCCCCC3)ccc2C1
InChIInChI=1S/C17H26N2/c18-17-8-7-15-11-14(5-6-16(15)12-17)13-19-9-3-1-2-4-10-19/h5-6,11,17H,1-4,7-10,12-13,18H2/t17-/m0/s1
InChIKeyQXFOJRPGKVXTIW-KRWDZBQOSA-N
XLogP2.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66663495
6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 66663465
5-(piperidin-1-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 59486388
(1R)-6-(piperidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 56594240
6-(methylaminomethyl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 69193207
(2R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 130940477
(6S)-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]naphthalen-6-amine
CID 55272060
N-[6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-4-(4-fluorophenyl)benzamide
CID 11476595
4-(cyclopropylmethoxy)-N-methyl-N-[6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 76680730
(3S)-1-(2,3-dihydro-1H-inden-5-ylmethyl)piperidin-3-ol
CID 107226173
1-(3,4-dihydro-2H-chromen-7-ylmethyl)azocane
CID 142954380
4-(4-fluorophenyl)-N-methyl-N-[(2S)-6-(pyrrolidin-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 58054855

Frequently Asked Questions

What is the IUPAC name of (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The IUPAC name of (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine (CID 66663494) is (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The canonical SMILES for (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is N[C@H]1CCc2cc(CN3CCCCCC3)ccc2C1.
What is the InChIKey of (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
The InChIKey is QXFOJRPGKVXTIW-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H26N2/c18-17-8-7-15-11-14(5-6-16(15)12-17)13-19-9-3-1-2-4-10-19/h5-6,11,17H,1-4,7-10,12-13,18H2/t17-/m0/s1.
What are the key properties of (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine?
(2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine has a molecular weight of 258.41 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-(azepan-1-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 66663494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).