N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine

C36H74N4O4 — CID 22094205

IUPACN,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine
SMILESCCCON(CCCCCCN(OCCC)C1CC(C)(C)N(OCCC)C(C)(C)C1)C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C36H74N4O4/c1-13-23-41-37(31-27-33(5,6)39(43-25-15-3)34(7,8)28-31)21-19-17-18-20-22-38(42-24-14-2)32-29-35(9,10)40(44-26-16-4)36(11,12)30-32/h31-32H,13-30H2,1-12H3
InChIKeyYFFBVQUTYFXHLA-UHFFFAOYSA-N
MW627.01 g/mol
LogP8.56
Rot. Bonds21

About N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine

N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine (PubChem CID 22094205) has the molecular formula C36H74N4O4 and a molecular weight of 627.01 g/mol. Its IUPAC name is N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine
PubChem CID22094205
Molecular FormulaC36H74N4O4
Molecular Weight627.01 g/mol
Exact Mass626.57
IUPAC NameN,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine
SMILESCCCON(CCCCCCN(OCCC)C1CC(C)(C)N(OCCC)C(C)(C)C1)C1CC(C)(C)N(OCCC)C(C)(C)C1
InChIInChI=1S/C36H74N4O4/c1-13-23-41-37(31-27-33(5,6)39(43-25-15-3)34(7,8)28-31)21-19-17-18-20-22-38(42-24-14-2)32-29-35(9,10)40(44-26-16-4)36(11,12)30-32/h31-32H,13-30H2,1-12H3
InChIKeyYFFBVQUTYFXHLA-UHFFFAOYSA-N
XLogP8.56
TPSA49.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds21
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.01
LogP ≤ 58.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine?
The IUPAC name of N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine (CID 22094205) is N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine.
What is the SMILES notation for N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine?
The canonical SMILES for N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine is CCCON(CCCCCCN(OCCC)C1CC(C)(C)N(OCCC)C(C)(C)C1)C1CC(C)(C)N(OCCC)C(C)(C)C1.
What is the InChIKey of N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine?
The InChIKey is YFFBVQUTYFXHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H74N4O4/c1-13-23-41-37(31-27-33(5,6)39(43-25-15-3)34(7,8)28-31)21-19-17-18-20-22-38(42-24-14-2)32-29-35(9,10)40(44-26-16-4)36(11,12)30-32/h31-32H,13-30H2,1-12H3.
What are the key properties of N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine?
N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine has a molecular weight of 627.01 g/mol, XLogP of 8.56, 21 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropoxy-N,N'-bis(2,2,6,6-tetramethyl-1-propoxypiperidin-4-yl)hexane-1,6-diamine is sourced from PubChem (CID 22094205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).