7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine

C17H26N2O — CID 58580018

IUPAC7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine
SMILESCN(CCCOc1ccccc1)C1C2CCC1C(N)C2
InChIInChI=1S/C17H26N2O/c1-19(17-13-8-9-15(17)16(18)12-13)10-5-11-20-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3
InChIKeyLIRQRVHJFRPAFA-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.51
Rot. Bonds6

About 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine

7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine (PubChem CID 58580018) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine.

Molecular Properties

Compound Name7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine
PubChem CID58580018
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine
SMILESCN(CCCOc1ccccc1)C1C2CCC1C(N)C2
InChIInChI=1S/C17H26N2O/c1-19(17-13-8-9-15(17)16(18)12-13)10-5-11-20-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3
InChIKeyLIRQRVHJFRPAFA-UHFFFAOYSA-N
XLogP2.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methanimidoyl-N-methyl-N-(3-phenoxypropyl)bicyclo[2.2.1]heptan-7-amine
CID 163898974
N-[7-[methyl(3-phenoxypropyl)amino]-2-bicyclo[2.2.1]heptanyl]-2-oxo-2-phenylacetamide
CID 59364416
2-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 64824766
trans-(1R,3R)-3-amino-N-methyl-N-(3-phenoxypropyl)cyclopentane-1-carboxamide
CID 97123271
4-[methyl(3-phenoxypropyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 120672844
3-amino-N-methyl-N-(3-phenoxypropyl)cyclohexane-1-carboxamide;hydrochloride
CID 119731934
2-[methyl(3-phenoxypropyl)amino]ethanethioamide
CID 62936274
(1S,2S)-2-[methyl(3-phenylpropyl)amino]bicyclo[2.2.1]heptan-7-ol
CID 68909455
[4-methyl-2-(3-phenoxypropyl)cyclohexyl]methanamine
CID 81010417
2-(3-phenoxypropyl)-4-propan-2-ylcyclohexan-1-amine
CID 63401544
[7-[9-hydroxynonyl(methyl)amino]-2-bicyclo[2.2.1]heptanyl] 9H-xanthene-9-carboxylate
CID 91428261
1-(2-bicyclo[2.2.1]heptanyl)-4-phenoxybutan-2-one
CID 79558066

Frequently Asked Questions

What is the IUPAC name of 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine?
The IUPAC name of 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine (CID 58580018) is 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine.
What is the SMILES notation for 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine?
The canonical SMILES for 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine is CN(CCCOc1ccccc1)C1C2CCC1C(N)C2.
What is the InChIKey of 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine?
The InChIKey is LIRQRVHJFRPAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-19(17-13-8-9-15(17)16(18)12-13)10-5-11-20-14-6-3-2-4-7-14/h2-4,6-7,13,15-17H,5,8-12,18H2,1H3.
What are the key properties of 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine?
7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine has a molecular weight of 274.41 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-methyl-7-N-(3-phenoxypropyl)bicyclo[2.2.1]heptane-2,7-diamine is sourced from PubChem (CID 58580018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).