(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

C17H26N2 — CID 126657141

IUPAC(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNC[C@@H]1CCCc2cc(N(C)CC3CC3)ccc21
InChIInChI=1S/C17H26N2/c1-18-11-15-5-3-4-14-10-16(8-9-17(14)15)19(2)12-13-6-7-13/h8-10,13,15,18H,3-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyQDJFOMXPFXKGTD-HNNXBMFYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds5

About (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine

(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (PubChem CID 126657141) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.

Molecular Properties

Compound Name(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
PubChem CID126657141
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
SMILESCNC[C@@H]1CCCc2cc(N(C)CC3CC3)ccc21
InChIInChI=1S/C17H26N2/c1-18-11-15-5-3-4-14-10-16(8-9-17(14)15)19(2)12-13-6-7-13/h8-10,13,15,18H,3-7,11-12H2,1-2H3/t15-/m0/s1
InChIKeyQDJFOMXPFXKGTD-HNNXBMFYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(1-ethylpropyl)-3,4-dimethylaniline
CID 91984
4,4'-Methylenebis(N-methylaniline)
CID 15735
N-Ethyl-1-naphthalenamine
CID 67043
1-(Naphthalen-2-yl)piperazine
CID 2760172
1-(2,3-Xylyl)piperazine
CID 70541
1-(3,4-Xylyl)piperazine
CID 2723782
4-Methyl-N1-(3-phenylpropyl)benzene-1,2-diamine
CID 16760588
Benzenamine, 4,4'-methylenebis[N-(1-methylpropyl)-
CID 110640
1-(5,6,7,8-Tetrahydronaphthalen-1-yl)piperazine
CID 98698
1-Biphenyl-3-yl-piperazine
CID 2756712
Amiflamine
CID 71221
Formamide, N-[(2R,6R,11R)-3-(cyclopropylmethyl)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-yl]-
CID 20836691

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The IUPAC name of (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine (CID 126657141) is (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine.
What is the SMILES notation for (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The canonical SMILES for (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is CNC[C@@H]1CCCc2cc(N(C)CC3CC3)ccc21.
What is the InChIKey of (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
The InChIKey is QDJFOMXPFXKGTD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H26N2/c1-18-11-15-5-3-4-14-10-16(8-9-17(14)15)19(2)12-13-6-7-13/h8-10,13,15,18H,3-7,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine?
(5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(cyclopropylmethyl)-N-methyl-5-(methylaminomethyl)-5,6,7,8-tetrahydronaphthalen-2-amine is sourced from PubChem (CID 126657141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).