N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine

C17H30N2 — CID 62434485

IUPACN,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-11-18-12-16-7-9-17(10-8-16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyVGOGWMSTGJFFDM-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.66
Rot. Bonds8

About N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine

N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine (PubChem CID 62434485) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
PubChem CID62434485
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine
SMILESCCCNCc1ccc(CN(C)C(C)C(C)C)cc1
InChIInChI=1S/C17H30N2/c1-6-11-18-12-16-7-9-17(10-8-16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3
InChIKeyVGOGWMSTGJFFDM-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 43570390
N-[[2-bromo-4-(propylaminomethyl)phenyl]methyl]-N,3-dimethylbutan-2-amine
CID 102769747
3-N,2-dimethyl-3-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,3-diamine
CID 79414500
N,3-dimethyl-N-[[5-methyl-4-(propylaminomethyl)furan-2-yl]methyl]butan-2-amine
CID 55075046
N-methyl-N-[[4-(propylaminomethyl)phenyl]methyl]cyclopropanamine
CID 55129561
N-[[4-(2-methylpropyl)phenyl]methyl]propan-1-amine
CID 63888318
[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]methanol
CID 112631162
N,2-dimethyl-N-(3-methylbutan-2-yl)-4-(propylaminomethyl)aniline
CID 55040116
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
2-N,3-dimethyl-2-N-[(4-methylphenyl)methyl]-1-N-propylbutane-1,2-diamine
CID 55070048
N-[(4-ethylphenyl)methyl]propan-1-amine
CID 4716655
2-[4-[[methyl(3-methylbutan-2-yl)amino]methyl]phenyl]acetohydrazide
CID 105351728

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine?
The IUPAC name of N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine (CID 62434485) is N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine.
What is the SMILES notation for N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine?
The canonical SMILES for N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine is CCCNCc1ccc(CN(C)C(C)C(C)C)cc1.
What is the InChIKey of N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine?
The InChIKey is VGOGWMSTGJFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-11-18-12-16-7-9-17(10-8-16)13-19(5)15(4)14(2)3/h7-10,14-15,18H,6,11-13H2,1-5H3.
What are the key properties of N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine?
N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine has a molecular weight of 262.44 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[[4-(propylaminomethyl)phenyl]methyl]butan-2-amine is sourced from PubChem (CID 62434485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).