N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine

C18H35N3 — CID 79164305

IUPACN,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C18H35N3/c1-13-9-14(2)17(18(10-13)19-3)12-21-8-7-15-5-6-16(11-21)20(15)4/h13-19H,5-12H2,1-4H3
InChIKeyDHADVEMDUVXDOX-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.43
Rot. Bonds3

About N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine

N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine (PubChem CID 79164305) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
PubChem CID79164305
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
SMILESCNC1CC(C)CC(C)C1CN1CCC2CCC(C1)N2C
InChIInChI=1S/C18H35N3/c1-13-9-14(2)17(18(10-13)19-3)12-21-8-7-15-5-6-16(11-21)20(15)4/h13-19H,5-12H2,1-4H3
InChIKeyDHADVEMDUVXDOX-UHFFFAOYSA-N
XLogP2.43
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine?
The IUPAC name of N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine (CID 79164305) is N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine is CNC1CC(C)CC(C)C1CN1CCC2CCC(C1)N2C.
What is the InChIKey of N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine?
The InChIKey is DHADVEMDUVXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-13-9-14(2)17(18(10-13)19-3)12-21-8-7-15-5-6-16(11-21)20(15)4/h13-19H,5-12H2,1-4H3.
What are the key properties of N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine?
N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine has a molecular weight of 293.50 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 79164305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).