N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

C17H30N2 — CID 62260863

IUPACN,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)(CC)CN(C)Cc1ccccc1C
InChIInChI=1S/C17H30N2/c1-6-17(4,13-18-7-2)14-19(5)12-16-11-9-8-10-15(16)3/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeyNMTOHFSRPPSVLH-UHFFFAOYSA-N
MW262.44 g/mol
LogP3.45
Rot. Bonds8

About N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine

N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (PubChem CID 62260863) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
PubChem CID62260863
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC NameN,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
SMILESCCNCC(C)(CC)CN(C)Cc1ccccc1C
InChIInChI=1S/C17H30N2/c1-6-17(4,13-18-7-2)14-19(5)12-16-11-9-8-10-15(16)3/h8-11,18H,6-7,12-14H2,1-5H3
InChIKeyNMTOHFSRPPSVLH-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774
N,N',2,2-tetramethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 62260003
N,N',2-triethyl-2-methyl-N'-phenylpropane-1,3-diamine
CID 62264174
N-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 61411427
2,2-dimethyl-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62267045
2-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]pentanal
CID 55052035
2-ethyl-N,2-dimethyl-N-[(2-methylfuran-3-yl)methyl]-N'-(2-methylpropyl)propane-1,3-diamine
CID 62258855
N-benzyl-N'-tert-butyl-2-ethyl-N,2-dimethylpropane-1,3-diamine
CID 62262100
2-ethyl-N,2-dimethyl-N'-propyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62256448
N-[[5-methyl-4-[[methyl-[(2-methylphenyl)methyl]amino]methyl]thiophen-2-yl]methyl]ethanamine
CID 80720043
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
N-tert-butyl-N'-methyl-2-methylidene-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 103069590

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine (CID 62260863) is N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is CCNCC(C)(CC)CN(C)Cc1ccccc1C.
What is the InChIKey of N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
The InChIKey is NMTOHFSRPPSVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-6-17(4,13-18-7-2)14-19(5)12-16-11-9-8-10-15(16)3/h8-11,18H,6-7,12-14H2,1-5H3.
What are the key properties of N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine?
N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine has a molecular weight of 262.44 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-N',2-dimethyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 62260863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).