N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine

C15H25N — CID 153362784

IUPACN,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine
SMILESCCCc1ccc(CN(C)C)cc1C(C)C
InChIInChI=1S/C15H25N/c1-6-7-14-9-8-13(11-16(4)5)10-15(14)12(2)3/h8-10,12H,6-7,11H2,1-5H3
InChIKeyVQRJBDFSRVMYOY-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.82
Rot. Bonds5

About N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine

N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine (PubChem CID 153362784) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine
PubChem CID153362784
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC NameN,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine
SMILESCCCc1ccc(CN(C)C)cc1C(C)C
InChIInChI=1S/C15H25N/c1-6-7-14-9-8-13(11-16(4)5)10-15(14)12(2)3/h8-10,12H,6-7,11H2,1-5H3
InChIKeyVQRJBDFSRVMYOY-UHFFFAOYSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyltrimethylammonium chloride
CID 5963
N,N-Dimethylbenzylamine
CID 7681
Benzyltrimethylammonium hydroxide
CID 66854
Benzyl triethylammonium chloride
CID 66133
Myristalkonium ion
CID 8756
Benzyltrimethylammonium bromide
CID 21449
Benzalkonium
CID 2330
Cetalkonium
CID 31203
Benzyltrimethylammonium
CID 5964
Benzenemethanamine, N,N,alpha-trimethyl-
CID 86536
Benzyltrimethylammonium iodide
CID 20619
Cyclohexylamine, N,N-dimethyl-1-phenyl-
CID 137487

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine (CID 153362784) is N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine is CCCc1ccc(CN(C)C)cc1C(C)C.
What is the InChIKey of N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine?
The InChIKey is VQRJBDFSRVMYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-6-7-14-9-8-13(11-16(4)5)10-15(14)12(2)3/h8-10,12H,6-7,11H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine?
N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine has a molecular weight of 219.37 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(3-propan-2-yl-4-propylphenyl)methanamine is sourced from PubChem (CID 153362784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).