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

C19H39N3O2 — CID 134267021

IUPAC[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate
SMILESCC(C)N[C@@H](COC(=O)NCCCCCCNC1CC1C)C(C)C
InChIInChI=1S/C19H39N3O2/c1-14(2)18(22-15(3)4)13-24-19(23)21-11-9-7-6-8-10-20-17-12-16(17)5/h14-18,20,22H,6-13H2,1-5H3,(H,21,23)/t16?,17?,18-/m0/s1
InChIKeyHPQWWWILRBACMZ-ABHNRTSZSA-N
MW341.54 g/mol
LogP3.29
Rot. Bonds13

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

[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate (PubChem CID 134267021) has the molecular formula C19H39N3O2 and a molecular weight of 341.54 g/mol. Its IUPAC name is [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate.

Molecular Properties

Compound Name[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate
PubChem CID134267021
Molecular FormulaC19H39N3O2
Molecular Weight341.54 g/mol
Exact Mass341.30
IUPAC Name[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate
SMILESCC(C)N[C@@H](COC(=O)NCCCCCCNC1CC1C)C(C)C
InChIInChI=1S/C19H39N3O2/c1-14(2)18(22-15(3)4)13-24-19(23)21-11-9-7-6-8-10-20-17-12-16(17)5/h14-18,20,22H,6-13H2,1-5H3,(H,21,23)/t16?,17?,18-/m0/s1
InChIKeyHPQWWWILRBACMZ-ABHNRTSZSA-N
XLogP3.29
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.54
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-[(2-methylcyclopropyl)amino]hexyl]carbamate?
The IUPAC name of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate (CID 134267021) is [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate.
What is the SMILES notation for [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate?
The canonical SMILES for [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate is CC(C)N[C@@H](COC(=O)NCCCCCCNC1CC1C)C(C)C.
What is the InChIKey of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate?
The InChIKey is HPQWWWILRBACMZ-ABHNRTSZSA-N. The full InChI is InChI=1S/C19H39N3O2/c1-14(2)18(22-15(3)4)13-24-19(23)21-11-9-7-6-8-10-20-17-12-16(17)5/h14-18,20,22H,6-13H2,1-5H3,(H,21,23)/t16?,17?,18-/m0/s1.
What are the key properties of [(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate?
[(2R)-3-methyl-2-(propan-2-ylamino)butyl] N-[6-[(2-methylcyclopropyl)amino]hexyl]carbamate has a molecular weight of 341.54 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-[(2-methylcyclopropyl)amino]hexyl]carbamate is sourced from PubChem (CID 134267021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).