3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine

C18H22N2 — CID 61480575

IUPAC3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C18H22N2/c19-17-10-15-4-2-1-3-14(15)9-16(17)11-20-18(12-5-6-12)13-7-8-13/h1-4,9-10,12-13,18,20H,5-8,11,19H2
InChIKeyHYWJVBHSGLMCSK-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.70
Rot. Bonds5

About 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine

3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine (PubChem CID 61480575) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine.

Molecular Properties

Compound Name3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine
PubChem CID61480575
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine
SMILESNc1cc2ccccc2cc1CNC(C1CC1)C1CC1
InChIInChI=1S/C18H22N2/c19-17-10-15-4-2-1-3-14(15)9-16(17)11-20-18(12-5-6-12)13-7-8-13/h1-4,9-10,12-13,18,20H,5-8,11,19H2
InChIKeyHYWJVBHSGLMCSK-UHFFFAOYSA-N
XLogP3.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-methyl-3-[[methyl-[(1R)-1-naphthalen-1-ylethyl]amino]methyl]aniline
CID 165122744
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CID 162644264
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N-(4-piperidin-1-ylbutyl)pyren-4-amine
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CID 118694744
Naphtho(2,1-b)(1,6)naphthyridine, 7,8,9,10,11,12-hexahydro-10-methyl-, hydrochloride
CID 38471
N-(5-piperidin-1-ylpentyl)pyren-4-amine
CID 118721464
6-N-(3-phenylpropyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836489
6-N-(4-phenylbutyl)-5,6,7,8-tetrahydronaphthalene-1,6-diamine
CID 14836490
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CID 672263
1-[2-(Ethylamino)naphthalen-1-yl]naphthalen-2-amine
CID 12061686

Frequently Asked Questions

What is the IUPAC name of 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine?
The IUPAC name of 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine (CID 61480575) is 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine.
What is the SMILES notation for 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine?
The canonical SMILES for 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine is Nc1cc2ccccc2cc1CNC(C1CC1)C1CC1.
What is the InChIKey of 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine?
The InChIKey is HYWJVBHSGLMCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-17-10-15-4-2-1-3-14(15)9-16(17)11-20-18(12-5-6-12)13-7-8-13/h1-4,9-10,12-13,18,20H,5-8,11,19H2.
What are the key properties of 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine?
3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(dicyclopropylmethylamino)methyl]naphthalen-2-amine is sourced from PubChem (CID 61480575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).