dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine

C45H37NO — CID 159323088

IUPACdinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine
SMILESCC(C)NC(c1cccc2ccccc12)c1cccc2ccccc12.O=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H23N.C21H14O/c1-17(2)25-24(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23;22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h3-17,24-25H,1-2H3;1-14H
InChIKeyLDZYIBFGKMMCFI-UHFFFAOYSA-N
MW607.80 g/mol
LogP11.30
Rot. Bonds6

About dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine

dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine (PubChem CID 159323088) has the molecular formula C45H37NO and a molecular weight of 607.80 g/mol. Its IUPAC name is dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine.

Molecular Properties

Compound Namedinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine
PubChem CID159323088
Molecular FormulaC45H37NO
Molecular Weight607.80 g/mol
Exact Mass607.29
IUPAC Namedinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine
SMILESCC(C)NC(c1cccc2ccccc12)c1cccc2ccccc12.O=C(c1cccc2ccccc12)c1cccc2ccccc12
InChIInChI=1S/C24H23N.C21H14O/c1-17(2)25-24(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23;22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h3-17,24-25H,1-2H3;1-14H
InChIKeyLDZYIBFGKMMCFI-UHFFFAOYSA-N
XLogP11.30
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.80
LogP ≤ 511.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine?
The IUPAC name of dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine (CID 159323088) is dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine.
What is the SMILES notation for dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine?
The canonical SMILES for dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine is CC(C)NC(c1cccc2ccccc12)c1cccc2ccccc12.O=C(c1cccc2ccccc12)c1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine?
The InChIKey is LDZYIBFGKMMCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N.C21H14O/c1-17(2)25-24(22-15-7-11-18-9-3-5-13-20(18)22)23-16-8-12-19-10-4-6-14-21(19)23;22-21(19-13-5-9-15-7-1-3-11-17(15)19)20-14-6-10-16-8-2-4-12-18(16)20/h3-17,24-25H,1-2H3;1-14H.
What are the key properties of dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine?
dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine has a molecular weight of 607.80 g/mol, XLogP of 11.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-ylmethanone;N-(dinaphthalen-1-ylmethyl)propan-2-amine is sourced from PubChem (CID 159323088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).