[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate

C18H39N3O2 — CID 88871213

IUPAC[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
SMILESCC(C)NCCCCCCNC(=O)OC[C@H](NC(C)C)C(C)C
InChIInChI=1S/C18H39N3O2/c1-14(2)17(21-16(5)6)13-23-18(22)20-12-10-8-7-9-11-19-15(3)4/h14-17,19,21H,7-13H2,1-6H3,(H,20,22)/t17-/m0/s1
InChIKeyCEAQMAFCDBKFRG-KRWDZBQOSA-N
MW329.53 g/mol
LogP3.29
Rot. Bonds13

About [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate

[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate (PubChem CID 88871213) has the molecular formula C18H39N3O2 and a molecular weight of 329.53 g/mol. Its IUPAC name is [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate.

Molecular Properties

Compound Name[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
PubChem CID88871213
Molecular FormulaC18H39N3O2
Molecular Weight329.53 g/mol
Exact Mass329.30
IUPAC Name[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate
SMILESCC(C)NCCCCCCNC(=O)OC[C@H](NC(C)C)C(C)C
InChIInChI=1S/C18H39N3O2/c1-14(2)17(21-16(5)6)13-23-18(22)20-12-10-8-7-9-11-19-15(3)4/h14-17,19,21H,7-13H2,1-6H3,(H,20,22)/t17-/m0/s1
InChIKeyCEAQMAFCDBKFRG-KRWDZBQOSA-N
XLogP3.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate?
The IUPAC name of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate (CID 88871213) is [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate.
What is the SMILES notation for [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate?
The canonical SMILES for [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate is CC(C)NCCCCCCNC(=O)OC[C@H](NC(C)C)C(C)C.
What is the InChIKey of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate?
The InChIKey is CEAQMAFCDBKFRG-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H39N3O2/c1-14(2)17(21-16(5)6)13-23-18(22)20-12-10-8-7-9-11-19-15(3)4/h14-17,19,21H,7-13H2,1-6H3,(H,20,22)/t17-/m0/s1.
What are the key properties of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate?
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate has a molecular weight of 329.53 g/mol, XLogP of 3.29, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-(propan-2-ylamino)hexyl]carbamate is sourced from PubChem (CID 88871213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).