2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine

C16H35N3 — CID 63233337

IUPAC2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-14(2)6-9-16(3,13-17)19(5)12-15-7-10-18(4)11-8-15/h14-15H,6-13,17H2,1-5H3
InChIKeySDMFXQHZAUZPTC-UHFFFAOYSA-N
MW269.48 g/mol
LogP2.41
Rot. Bonds7

About 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine

2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine (PubChem CID 63233337) has the molecular formula C16H35N3 and a molecular weight of 269.48 g/mol. Its IUPAC name is 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine.

Molecular Properties

Compound Name2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
PubChem CID63233337
Molecular FormulaC16H35N3
Molecular Weight269.48 g/mol
Exact Mass269.28
IUPAC Name2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
SMILESCC(C)CCC(C)(CN)N(C)CC1CCN(C)CC1
InChIInChI=1S/C16H35N3/c1-14(2)6-9-16(3,13-17)19(5)12-15-7-10-18(4)11-8-15/h14-15H,6-13,17H2,1-5H3
InChIKeySDMFXQHZAUZPTC-UHFFFAOYSA-N
XLogP2.41
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.48
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The IUPAC name of 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine (CID 63233337) is 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine.
What is the SMILES notation for 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The canonical SMILES for 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine is CC(C)CCC(C)(CN)N(C)CC1CCN(C)CC1.
What is the InChIKey of 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
The InChIKey is SDMFXQHZAUZPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N3/c1-14(2)6-9-16(3,13-17)19(5)12-15-7-10-18(4)11-8-15/h14-15H,6-13,17H2,1-5H3.
What are the key properties of 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine?
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine has a molecular weight of 269.48 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine is sourced from PubChem (CID 63233337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).