1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine

C16H30N2O — CID 66455352

IUPAC1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C16H30N2O/c1-7-10-17-14(3)16(4,5)12-18(6)11-15-9-8-13(2)19-15/h8-9,14,17H,7,10-12H2,1-6H3
InChIKeyORVIUFASSCFMQP-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.43
Rot. Bonds8

About 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine

1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine (PubChem CID 66455352) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
PubChem CID66455352
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC Name1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine
SMILESCCCNC(C)C(C)(C)CN(C)Cc1ccc(C)o1
InChIInChI=1S/C16H30N2O/c1-7-10-17-14(3)16(4,5)12-18(6)11-15-9-8-13(2)19-15/h8-9,14,17H,7,10-12H2,1-6H3
InChIKeyORVIUFASSCFMQP-UHFFFAOYSA-N
XLogP3.43
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-N-methyl-N-[(5-methylfuran-2-yl)methyl]-N'-propan-2-ylpropane-1,3-diamine
CID 62257493
2-methyl-1-[methyl-[(5-methylfuran-2-yl)methyl]amino]propan-2-ol
CID 60886966
1-N-[(2-fluorophenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66452352
N-butan-2-yl-N'-methyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 60852866
N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62256958
1-N-[(2-methoxyphenyl)methyl]-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66453642
N-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]-2-propylpropane-1,3-diamine
CID 62255914
1-N,2,2,3-tetramethyl-1-N-[(5-methylfuran-2-yl)methyl]butane-1,3-diamine
CID 65266928
N-tert-butyl-2-ethyl-N',2-dimethyl-N'-[(5-methylfuran-2-yl)methyl]propane-1,3-diamine
CID 62255918
N,N'-dimethyl-N'-[(5-methylfuran-2-yl)methyl]ethane-1,2-diamine
CID 43526366
1-N-(4-ethylphenyl)-1-N,2,2-trimethyl-3-N-propylbutane-1,3-diamine
CID 66454727
N-[[2-methyl-5-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]furan-3-yl]methyl]propan-1-amine
CID 62420974

Frequently Asked Questions

What is the IUPAC name of 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The IUPAC name of 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine (CID 66455352) is 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine.
What is the SMILES notation for 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The canonical SMILES for 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine is CCCNC(C)C(C)(C)CN(C)Cc1ccc(C)o1.
What is the InChIKey of 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
The InChIKey is ORVIUFASSCFMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-7-10-17-14(3)16(4,5)12-18(6)11-15-9-8-13(2)19-15/h8-9,14,17H,7,10-12H2,1-6H3.
What are the key properties of 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine?
1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine has a molecular weight of 266.43 g/mol, XLogP of 3.43, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2,2-trimethyl-1-N-[(5-methylfuran-2-yl)methyl]-3-N-propylbutane-1,3-diamine is sourced from PubChem (CID 66455352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).