1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

C17H21NO — CID 28661521

IUPAC1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H21NO/c1-2-11-19-16-6-4-3-5-15(16)12-18-17(13-7-8-13)14-9-10-14/h1,3-6,13-14,17-18H,7-12H2
InChIKeyDTXAYNGMAIEUSR-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.98
Rot. Bonds7

About 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine

1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (PubChem CID 28661521) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
PubChem CID28661521
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine
SMILESC#CCOc1ccccc1CNC(C1CC1)C1CC1
InChIInChI=1S/C17H21NO/c1-2-11-19-16-6-4-3-5-15(16)12-18-17(13-7-8-13)14-9-10-14/h1,3-6,13-14,17-18H,7-12H2
InChIKeyDTXAYNGMAIEUSR-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-bromo-2-prop-2-ynoxyphenyl)methyl]-1,1-dicyclopropylmethanamine
CID 60781492
N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 28610201
1-(oxolan-3-yl)-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 115890011
(1S)-1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 28609857
1-(cyclopropylmethyl)-2-prop-2-ynoxybenzene
CID 162161399
1-methylsulfanyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-2-amine
CID 113472717
N-[(2-prop-2-ynoxyphenyl)methyl]thiolan-3-amine
CID 103902341
4-[(2-prop-2-ynoxyphenyl)methylamino]cyclohexan-1-ol
CID 28615243
1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
2-cyclopentyl-N-[(2-prop-2-ynoxyphenyl)methyl]ethanamine
CID 60733626
N-propyl-2-[(2-prop-2-ynoxyphenyl)methylamino]propanamide
CID 43221810
(1R)-N-[(2-prop-2-ynoxyphenyl)methyl]-1-pyridin-2-ylethanamine
CID 28648846

Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine (CID 28661521) is 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is C#CCOc1ccccc1CNC(C1CC1)C1CC1.
What is the InChIKey of 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
The InChIKey is DTXAYNGMAIEUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-2-11-19-16-6-4-3-5-15(16)12-18-17(13-7-8-13)14-9-10-14/h1,3-6,13-14,17-18H,7-12H2.
What are the key properties of 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine?
1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine has a molecular weight of 255.36 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-[(2-prop-2-ynoxyphenyl)methyl]methanamine is sourced from PubChem (CID 28661521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).