7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride

C17H31ClN2O — CID 119729134

IUPAC7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H30N2O.ClH/c18-9-4-2-1-3-8-17(20)19-16-11-12-10-15(16)14-7-5-6-13(12)14;/h12-16H,1-11,18H2,(H,19,20);1H
InChIKeyOERZMYWKEGFUNX-UHFFFAOYSA-N
MW314.90 g/mol
LogP3.26
Rot. Bonds7

About 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride

7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride (PubChem CID 119729134) has the molecular formula C17H31ClN2O and a molecular weight of 314.90 g/mol. Its IUPAC name is 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride.

Molecular Properties

Compound Name7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
PubChem CID119729134
Molecular FormulaC17H31ClN2O
Molecular Weight314.90 g/mol
Exact Mass314.21
IUPAC Name7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1CC2CC1C1CCCC21
InChIInChI=1S/C17H30N2O.ClH/c18-9-4-2-1-3-8-17(20)19-16-11-12-10-15(16)14-7-5-6-13(12)14;/h12-16H,1-11,18H2,(H,19,20);1H
InChIKeyOERZMYWKEGFUNX-UHFFFAOYSA-N
XLogP3.26
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.90
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)hexanamide
CID 43710195
6-amino-N-[(1S,2S)-2-hydroxycyclohexyl]hexanamide
CID 107221663
2-amino-2-ethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 79809442
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729850
3-(2-methylpropylsulfonyl)-N-[(1R,2S,6R,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]propanamide
CID 124729848
2-tert-butylsulfanyl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 78858492
7-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)heptanamide
CID 24703971
7-amino-N-(3-methylcyclohexyl)heptanamide
CID 43317968
3-amino-2,2,3-trimethyl-N-(8-tricyclo[5.2.1.02,6]decanyl)butanamide
CID 65264411
N-[(1R,2S,6S,7S,8R)-8-tricyclo[5.2.1.02,6]decanyl]cyclopentanecarboxamide
CID 124785473
6-amino-N-[2-(trifluoromethyl)cyclohexyl]hexanamide
CID 43712731
2-cyclopent-2-en-1-yl-N-(8-tricyclo[5.2.1.02,6]decanyl)acetamide
CID 43066745

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride?
The IUPAC name of 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride (CID 119729134) is 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride.
What is the SMILES notation for 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride?
The canonical SMILES for 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1CC2CC1C1CCCC21.
What is the InChIKey of 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride?
The InChIKey is OERZMYWKEGFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O.ClH/c18-9-4-2-1-3-8-17(20)19-16-11-12-10-15(16)14-7-5-6-13(12)14;/h12-16H,1-11,18H2,(H,19,20);1H.
What are the key properties of 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride?
7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride has a molecular weight of 314.90 g/mol, XLogP of 3.26, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(8-tricyclo[5.2.1.02,6]decanyl)heptanamide;hydrochloride is sourced from PubChem (CID 119729134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).