N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine

C18H25N — CID 44588534

IUPACN-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
SMILESCN(Cc1ccccc1)CC12CC3CC(CC1C3)C2
InChIInChI=1S/C18H25N/c1-19(12-14-5-3-2-4-6-14)13-18-10-15-7-16(11-18)9-17(18)8-15/h2-6,15-17H,7-13H2,1H3
InChIKeyPMOPTUYWJMKDDN-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.94
Rot. Bonds4

About N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine

N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine (PubChem CID 44588534) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
PubChem CID44588534
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC NameN-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine
SMILESCN(Cc1ccccc1)CC12CC3CC(CC1C3)C2
InChIInChI=1S/C18H25N/c1-19(12-14-5-3-2-4-6-14)13-18-10-15-7-16(11-18)9-17(18)8-15/h2-6,15-17H,7-13H2,1H3
InChIKeyPMOPTUYWJMKDDN-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The IUPAC name of N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine (CID 44588534) is N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine.
What is the SMILES notation for N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The canonical SMILES for N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine is CN(Cc1ccccc1)CC12CC3CC(CC1C3)C2.
What is the InChIKey of N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
The InChIKey is PMOPTUYWJMKDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-19(12-14-5-3-2-4-6-14)13-18-10-15-7-16(11-18)9-17(18)8-15/h2-6,15-17H,7-13H2,1H3.
What are the key properties of N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine?
N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine has a molecular weight of 255.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-(3-tricyclo[3.3.1.03,7]nonanylmethyl)methanamine is sourced from PubChem (CID 44588534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).