N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride

C17H25ClN2O — CID 119822531

IUPACN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1C2Cc3ccccc3C21
InChIInChI=1S/C17H24N2O.ClH/c18-10-6-2-1-3-9-15(20)19-17-14-11-12-7-4-5-8-13(12)16(14)17;/h4-5,7-8,14,16-17H,1-3,6,9-11,18H2,(H,19,20);1H
InChIKeyASWNYEZDQCXOBR-UHFFFAOYSA-N
MW308.85 g/mol
LogP2.77
Rot. Bonds7

About N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride (PubChem CID 119822531) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride.

Molecular Properties

Compound NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride
PubChem CID119822531
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride
SMILESCl.NCCCCCCC(=O)NC1C2Cc3ccccc3C21
InChIInChI=1S/C17H24N2O.ClH/c18-10-6-2-1-3-9-15(20)19-17-14-11-12-7-4-5-8-13(12)16(14)17;/h4-5,7-8,14,16-17H,1-3,6,9-11,18H2,(H,19,20);1H
InChIKeyASWNYEZDQCXOBR-UHFFFAOYSA-N
XLogP2.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 52.77
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

N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-4-(methylamino)butanamide;hydrochloride
CID 119822539
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(methylamino)acetamide
CID 119822552
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119822559
6-amino-N-(2,3-dihydro-1H-inden-1-yl)hexanamide
CID 43652067
4-[2-[[(1R,1aR,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]amino]-2-oxoethyl]benzoic acid
CID 129469957
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-(2-nitrophenyl)acetamide
CID 122137963
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3-dihydroxybenzamide
CID 124625638
N-[(1R,1aS,6aR)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]-2,3,5,6-tetrafluorobenzamide
CID 98556741
N-(2-amino-2,3-dihydro-1H-inden-1-yl)nonanamide
CID 65426628
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]octanamide
CID 103816825
7-amino-N-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)heptanamide;hydrochloride
CID 119758371
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-2-amino-2-phenylpropanamide
CID 120594461

Frequently Asked Questions

What is the IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride?
The IUPAC name of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride (CID 119822531) is N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride.
What is the SMILES notation for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride?
The canonical SMILES for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride is Cl.NCCCCCCC(=O)NC1C2Cc3ccccc3C21.
What is the InChIKey of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride?
The InChIKey is ASWNYEZDQCXOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O.ClH/c18-10-6-2-1-3-9-15(20)19-17-14-11-12-7-4-5-8-13(12)16(14)17;/h4-5,7-8,14,16-17H,1-3,6,9-11,18H2,(H,19,20);1H.
What are the key properties of N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride?
N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride has a molecular weight of 308.85 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl)-7-aminoheptanamide;hydrochloride is sourced from PubChem (CID 119822531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).