N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide

C17H30N2O — CID 70974378

IUPACN-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1CC=C2CC(C)C[C@@H]2C1C
InChIInChI=1S/C17H30N2O/c1-12-10-14-7-8-16(13(2)15(14)11-12)19-17(20)6-4-5-9-18-3/h7,12-13,15-16,18H,4-6,8-11H2,1-3H3,(H,19,20)/t12?,13?,15-,16?/m1/s1
InChIKeyBGHUULQFCDQPFP-MKUJRZGVSA-N
MW278.44 g/mol
LogP2.87
Rot. Bonds6

About N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide

N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide (PubChem CID 70974378) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide
PubChem CID70974378
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide
SMILESCNCCCCC(=O)NC1CC=C2CC(C)C[C@@H]2C1C
InChIInChI=1S/C17H30N2O/c1-12-10-14-7-8-16(13(2)15(14)11-12)19-17(20)6-4-5-9-18-3/h7,12-13,15-16,18H,4-6,8-11H2,1-3H3,(H,19,20)/t12?,13?,15-,16?/m1/s1
InChIKeyBGHUULQFCDQPFP-MKUJRZGVSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide?
The IUPAC name of N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide (CID 70974378) is N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide.
What is the SMILES notation for N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide?
The canonical SMILES for N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide is CNCCCCC(=O)NC1CC=C2CC(C)C[C@@H]2C1C.
What is the InChIKey of N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide?
The InChIKey is BGHUULQFCDQPFP-MKUJRZGVSA-N. The full InChI is InChI=1S/C17H30N2O/c1-12-10-14-7-8-16(13(2)15(14)11-12)19-17(20)6-4-5-9-18-3/h7,12-13,15-16,18H,4-6,8-11H2,1-3H3,(H,19,20)/t12?,13?,15-,16?/m1/s1.
What are the key properties of N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide?
N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide has a molecular weight of 278.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aR)-2,4-dimethyl-2,3,3a,4,5,6-hexahydro-1H-inden-5-yl]-5-(methylamino)pentanamide is sourced from PubChem (CID 70974378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).