1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine

C14H31N3 — CID 63275561

IUPAC1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
SMILESCNC(CN(C)CC1CCN(C)C1)C(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13(15-4)11-17(6)10-12-7-8-16(5)9-12/h12-13,15H,7-11H2,1-6H3
InChIKeyRHYQSUTVSDXSON-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.50
Rot. Bonds5

About 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine

1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine (PubChem CID 63275561) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
PubChem CID63275561
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
SMILESCNC(CN(C)CC1CCN(C)C1)C(C)(C)C
InChIInChI=1S/C14H31N3/c1-14(2,3)13(15-4)11-17(6)10-12-7-8-16(5)9-12/h12-13,15H,7-11H2,1-6H3
InChIKeyRHYQSUTVSDXSON-UHFFFAOYSA-N
XLogP1.50
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,2-N,3,3-tetramethyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63726325
2-ethyl-N,N'-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 115255113
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
2,2-dimethoxy-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]ethanamine
CID 66220841
1,1,1-trifluoro-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-2-ol
CID 63900629
2-bromo-3,3,3-trifluoro-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]propan-1-amine
CID 64759351
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
1-cyclopentyl-N,N'-dimethyl-N'-[(1-methylpiperidin-4-yl)methyl]ethane-1,2-diamine
CID 104746229
2-ethyl-1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine
CID 79814121
2-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]butan-2-ol
CID 79360191
2,2-dimethyl-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propanehydrazide
CID 79626351
N-tert-butyl-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 55172392

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine?
The IUPAC name of 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine (CID 63275561) is 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine?
The canonical SMILES for 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine is CNC(CN(C)CC1CCN(C)C1)C(C)(C)C.
What is the InChIKey of 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine?
The InChIKey is RHYQSUTVSDXSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-14(2,3)13(15-4)11-17(6)10-12-7-8-16(5)9-12/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine?
1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N,3,3-tetramethyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63275561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).