N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine

C15H23N3O — CID 115200125

IUPACN',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1nc2cc(CN(C)CC(C)(C)CN)ccc2o1
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)19-11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3
InChIKeyRCVICLGZNDSNQA-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.55
Rot. Bonds5

About N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine

N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine (PubChem CID 115200125) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
PubChem CID115200125
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC NameN',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine
SMILESCc1nc2cc(CN(C)CC(C)(C)CN)ccc2o1
InChIInChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)19-11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3
InChIKeyRCVICLGZNDSNQA-UHFFFAOYSA-N
XLogP2.55
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
2,2-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,4-diamine
CID 115204917
3-methyl-3-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butan-1-ol
CID 115134171
3-N-methyl-3-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]butane-1,3-diamine
CID 117040397
4-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]butanoic acid
CID 115218677
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
N,2-dimethyl-N-[(2-methyl-1,3-benzoxazol-6-yl)methyl]butane-1,4-diamine
CID 115202689
[methyl-[(2-methyl-1,3-benzoxazol-6-yl)methyl]amino]methanol
CID 115229195
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187

Frequently Asked Questions

What is the IUPAC name of N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine?
The IUPAC name of N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine (CID 115200125) is N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine is Cc1nc2cc(CN(C)CC(C)(C)CN)ccc2o1.
What is the InChIKey of N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine?
The InChIKey is RCVICLGZNDSNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-17-13-7-12(5-6-14(13)19-11)8-18(4)10-15(2,3)9-16/h5-7H,8-10,16H2,1-4H3.
What are the key properties of N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine?
N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine has a molecular weight of 261.37 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',2,2-trimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115200125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).