3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine

C15H33N3 — CID 20705066

IUPAC3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine
SMILESCCN(CC1CCN(C)CC1)C(C)C(C)N(C)C
InChIInChI=1S/C15H33N3/c1-7-18(14(3)13(2)16(4)5)12-15-8-10-17(6)11-9-15/h13-15H,7-12H2,1-6H3
InChIKeyWMBYAYXHJFLLBA-UHFFFAOYSA-N
MW255.45 g/mol
LogP1.99
Rot. Bonds6

About 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine

3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine (PubChem CID 20705066) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine
PubChem CID20705066
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC Name3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine
SMILESCCN(CC1CCN(C)CC1)C(C)C(C)N(C)C
InChIInChI=1S/C15H33N3/c1-7-18(14(3)13(2)16(4)5)12-15-8-10-17(6)11-9-15/h13-15H,7-12H2,1-6H3
InChIKeyWMBYAYXHJFLLBA-UHFFFAOYSA-N
XLogP1.99
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine?
The IUPAC name of 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine (CID 20705066) is 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine is CCN(CC1CCN(C)CC1)C(C)C(C)N(C)C.
What is the InChIKey of 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine?
The InChIKey is WMBYAYXHJFLLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-7-18(14(3)13(2)16(4)5)12-15-8-10-17(6)11-9-15/h13-15H,7-12H2,1-6H3.
What are the key properties of 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine?
3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine has a molecular weight of 255.45 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-2-N,2-N-dimethyl-3-N-[(1-methylpiperidin-4-yl)methyl]butane-2,3-diamine is sourced from PubChem (CID 20705066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).