5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

C16H29NO — CID 79606991

IUPAC5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-13(4-3-7-17-8-9-18-2)10-16-12-14-5-6-15(16)11-14/h4,14-17H,3,5-12H2,1-2H3
InChIKeyNEWAYUAEAZRCNE-UHFFFAOYSA-N
MW251.41 g/mol
LogP3.39
Rot. Bonds8

About 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine

5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (PubChem CID 79606991) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.

Molecular Properties

Compound Name5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
PubChem CID79606991
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
SMILESCOCCNCCC=C(C)CC1CC2CCC1C2
InChIInChI=1S/C16H29NO/c1-13(4-3-7-17-8-9-18-2)10-16-12-14-5-6-15(16)11-14/h4,14-17H,3,5-12H2,1-2H3
InChIKeyNEWAYUAEAZRCNE-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(2-bicyclo[2.2.1]heptanyl)-4-methyl-N-(2-methylpropyl)pent-3-en-1-amine
CID 79606979
N-(2-methoxyethyl)-4,6-dimethyloct-3-en-1-amine
CID 79607917
(Z)-N-(2-methoxyethyl)-4-methyl-5-(1-oxaspiro[4.5]decan-2-yl)pent-3-en-1-amine
CID 102902719
N-(2-bicyclo[2.2.1]heptanylmethyl)-2-[(2-methylpropan-2-yl)oxy]ethanamine
CID 112589102
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(2-methoxyethoxy)butan-1-amine
CID 104693936
N-[[1-(2-bicyclo[2.2.1]heptanylmethyl)imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720621
1-[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-2-(2-methoxyethylamino)ethanone
CID 119766501
2-(2-bicyclo[2.2.1]heptanyl)-N-(1-hydroxy-4-methoxybutan-2-yl)acetamide
CID 114211440
(Z)-5-(3,4-dihydro-2H-chromen-4-yl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine
CID 104772468
2-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 98679471
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 98679474
methyl 3-[[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-(2-methoxyethyl)amino]propanoate
CID 78959054

Frequently Asked Questions

What is the IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The IUPAC name of 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine (CID 79606991) is 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine.
What is the SMILES notation for 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The canonical SMILES for 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is COCCNCCC=C(C)CC1CC2CCC1C2.
What is the InChIKey of 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
The InChIKey is NEWAYUAEAZRCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-13(4-3-7-17-8-9-18-2)10-16-12-14-5-6-15(16)11-14/h4,14-17H,3,5-12H2,1-2H3.
What are the key properties of 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine?
5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine has a molecular weight of 251.41 g/mol, XLogP of 3.39, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bicyclo[2.2.1]heptanyl)-N-(2-methoxyethyl)-4-methylpent-3-en-1-amine is sourced from PubChem (CID 79606991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).