N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine

C33H55N — CID 137414316

IUPACN-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCC)NCCC1=CCc2ccc(C)cc21
InChIInChI=1S/C33H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(3)34-27-26-32-25-24-31-23-22-29(2)28-33(31)32/h22-23,25,28,34H,3-21,24,26-27H2,1-2H3
InChIKeyVWSCLPRYQPXXHO-UHFFFAOYSA-N
MW465.81 g/mol
LogP10.47
Rot. Bonds22

About N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine

N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine (PubChem CID 137414316) has the molecular formula C33H55N and a molecular weight of 465.81 g/mol. Its IUPAC name is N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine.

Molecular Properties

Compound NameN-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
PubChem CID137414316
Molecular FormulaC33H55N
Molecular Weight465.81 g/mol
Exact Mass465.43
IUPAC NameN-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine
SMILESC=C(CCCCCCCCCCCCCCCCCCC)NCCC1=CCc2ccc(C)cc21
InChIInChI=1S/C33H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(3)34-27-26-32-25-24-31-23-22-29(2)28-33(31)32/h22-23,25,28,34H,3-21,24,26-27H2,1-2H3
InChIKeyVWSCLPRYQPXXHO-UHFFFAOYSA-N
XLogP10.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.81
LogP ≤ 510.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-hydroxy-3H-inden-1-yl)ethyl]pentanamide
CID 18360664
N-[2-(4,6-dimethyl-1H-azonin-3-yl)ethyl]henicos-1-en-2-amine
CID 137414440
N-hexyloct-1-en-2-amine
CID 169110016
N-butylhept-1-en-2-amine
CID 170620308
N-[1-[2,4-dimethyl-5-[(E)-(6-methyl-2-methylidene-3H-inden-1-ylidene)methyl]-1H-pyrrol-3-yl]ethenyl]pentan-1-amine
CID 137383511
N-[2-(5-ethyl-1-benzofuran-3-yl)ethyl]henicos-1-en-2-amine
CID 137414303
N-[2-(1-methylindol-3-yl)ethyl]tricos-1-en-2-amine
CID 137414411
N-[4-(2-methyloct-2-en-3-yl)phenyl]-N'-[4-(4-methylphenyl)but-1-en-2-yl]methanediamine
CID 143309254
CID 157233374
CID 157233374
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
1-dec-1-en-2-yl-4-methylbenzene
CID 3805374
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556

Frequently Asked Questions

What is the IUPAC name of N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine?
The IUPAC name of N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine (CID 137414316) is N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine.
What is the SMILES notation for N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine?
The canonical SMILES for N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine is C=C(CCCCCCCCCCCCCCCCCCC)NCCC1=CCc2ccc(C)cc21.
What is the InChIKey of N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine?
The InChIKey is VWSCLPRYQPXXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H55N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-30(3)34-27-26-32-25-24-31-23-22-29(2)28-33(31)32/h22-23,25,28,34H,3-21,24,26-27H2,1-2H3.
What are the key properties of N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine?
N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine has a molecular weight of 465.81 g/mol, XLogP of 10.47, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-methyl-3H-inden-1-yl)ethyl]henicos-1-en-2-amine is sourced from PubChem (CID 137414316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).