N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine

C32H68N4O3 — CID 67951251

IUPACN-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine
SMILESCNCCCCCCOC(OCCCCCCNC)(OCCCCCCNC)[C@@H]1CC1CCCCCCNC
InChIInChI=1S/C32H68N4O3/c1-33-22-14-6-5-13-21-30-29-31(30)32(37-26-18-10-7-15-23-34-2,38-27-19-11-8-16-24-35-3)39-28-20-12-9-17-25-36-4/h30-31,33-36H,5-29H2,1-4H3/t30?,31-/m1/s1
InChIKeyKGOLSSWPTHJIEV-NLIBRCFJSA-N
MW556.92 g/mol
LogP5.84
Rot. Bonds32

About N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine

N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine (PubChem CID 67951251) has the molecular formula C32H68N4O3 and a molecular weight of 556.92 g/mol. Its IUPAC name is N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine.

Molecular Properties

Compound NameN-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine
PubChem CID67951251
Molecular FormulaC32H68N4O3
Molecular Weight556.92 g/mol
Exact Mass556.53
IUPAC NameN-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine
SMILESCNCCCCCCOC(OCCCCCCNC)(OCCCCCCNC)[C@@H]1CC1CCCCCCNC
InChIInChI=1S/C32H68N4O3/c1-33-22-14-6-5-13-21-30-29-31(30)32(37-26-18-10-7-15-23-34-2,38-27-19-11-8-16-24-35-3)39-28-20-12-9-17-25-36-4/h30-31,33-36H,5-29H2,1-4H3/t30?,31-/m1/s1
InChIKeyKGOLSSWPTHJIEV-NLIBRCFJSA-N
XLogP5.84
TPSA75.81 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds32
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.92
LogP ≤ 55.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine?
The IUPAC name of N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine (CID 67951251) is N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine.
What is the SMILES notation for N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine?
The canonical SMILES for N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine is CNCCCCCCOC(OCCCCCCNC)(OCCCCCCNC)[C@@H]1CC1CCCCCCNC.
What is the InChIKey of N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine?
The InChIKey is KGOLSSWPTHJIEV-NLIBRCFJSA-N. The full InChI is InChI=1S/C32H68N4O3/c1-33-22-14-6-5-13-21-30-29-31(30)32(37-26-18-10-7-15-23-34-2,38-27-19-11-8-16-24-35-3)39-28-20-12-9-17-25-36-4/h30-31,33-36H,5-29H2,1-4H3/t30?,31-/m1/s1.
What are the key properties of N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine?
N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine has a molecular weight of 556.92 g/mol, XLogP of 5.84, 32 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2R)-2-[tris[6-(methylamino)hexoxy]methyl]cyclopropyl]hexan-1-amine is sourced from PubChem (CID 67951251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).