2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol

C17H19NO — CID 10354914

IUPAC2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol
SMILESC=CCN(CC=C)Cc1ccc2ccccc2c1O
InChIInChI=1S/C17H19NO/c1-3-11-18(12-4-2)13-15-10-9-14-7-5-6-8-16(14)17(15)19/h3-10,19H,1-2,11-13H2
InChIKeyWBJIUZNQLFBHNU-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.72
Rot. Bonds6

About 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol

2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol (PubChem CID 10354914) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol
PubChem CID10354914
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol
SMILESC=CCN(CC=C)Cc1ccc2ccccc2c1O
InChIInChI=1S/C17H19NO/c1-3-11-18(12-4-2)13-15-10-9-14-7-5-6-8-16(14)17(15)19/h3-10,19H,1-2,11-13H2
InChIKeyWBJIUZNQLFBHNU-UHFFFAOYSA-N
XLogP3.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloroethyl)-N-(naphthalen-1-ylmethyl)prop-2-en-1-amine;hydrochloride
CID 11971939
2-[[bis(prop-2-enyl)amino]methyl]phenol;oxalic acid
CID 163328185
2-(naphthalen-1-ylmethyl)naphthalen-1-ol
CID 15617878
1-hydroxy-N-propan-2-yl-N-prop-2-enylnaphthalene-2-carboxamide
CID 115280798
2-(1-hydroxynaphthalen-2-yl)acetamide;hydrochloride
CID 161067432
1-[(1-hydroxynaphthalen-2-yl)methyl]naphthalen-2-ol
CID 15213459
3-[bis(prop-2-enyl)amino]-1-naphthalen-1-ylpropan-1-one
CID 110175440
phenanthrene;prop-2-enoic acid
CID 88600118
2-[prop-2-enyl(quinolin-2-ylmethyl)amino]acetic acid
CID 79277558
2-(naphthalen-2-ylmethyl)naphthalen-1-ol
CID 14854909
methyl 4-[hydroxy-[(1-hydroxynaphthalen-2-yl)methyl]amino]-4-oxobutanoate
CID 19877527
2-[benzyl-[(1-hydroxynaphthalen-2-yl)methyl]amino]ethyl-(2,4,6-trimethylphenyl)azanide;hafnium(4+);methanidylbenzene
CID 58633366

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol (CID 10354914) is 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol is C=CCN(CC=C)Cc1ccc2ccccc2c1O.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol?
The InChIKey is WBJIUZNQLFBHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-3-11-18(12-4-2)13-15-10-9-14-7-5-6-8-16(14)17(15)19/h3-10,19H,1-2,11-13H2.
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol?
2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol has a molecular weight of 253.35 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]naphthalen-1-ol is sourced from PubChem (CID 10354914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).