tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate

C18H38N2O3 — CID 103387404

IUPACtert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)CCC(C)C
InChIInChI=1S/C18H38N2O3/c1-14(2)10-11-15(3)20-16(13-22-7)9-8-12-19-17(21)23-18(4,5)6/h14-16,20H,8-13H2,1-7H3,(H,19,21)
InChIKeyVUHVHNWSFCPYSF-UHFFFAOYSA-N
MW330.51 g/mol
LogP3.72
Rot. Bonds11

About tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate

tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate (PubChem CID 103387404) has the molecular formula C18H38N2O3 and a molecular weight of 330.51 g/mol. Its IUPAC name is tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
PubChem CID103387404
Molecular FormulaC18H38N2O3
Molecular Weight330.51 g/mol
Exact Mass330.29
IUPAC Nametert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate
SMILESCOCC(CCCNC(=O)OC(C)(C)C)NC(C)CCC(C)C
InChIInChI=1S/C18H38N2O3/c1-14(2)10-11-15(3)20-16(13-22-7)9-8-12-19-17(21)23-18(4,5)6/h14-16,20H,8-13H2,1-7H3,(H,19,21)
InChIKeyVUHVHNWSFCPYSF-UHFFFAOYSA-N
XLogP3.72
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.51
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-methoxy-4-(propan-2-ylamino)pentyl]carbamate
CID 103386966
tert-butyl N-[5-methoxy-4-(4-methylsulfinylbutan-2-ylamino)pentyl]carbamate
CID 103391054
tert-butyl N-[4-(3,3-dimethylbutan-2-ylamino)-5-methoxypentyl]carbamate
CID 103390924
tert-butyl N-[5-methoxy-4-(2-methylpropylamino)pentyl]carbamate
CID 103386975
tert-butyl N-[4-[(1-hydroxy-3-methylbutan-2-yl)amino]-5-methoxypentyl]carbamate
CID 103390318
tert-butyl N-[2-(5-methylhexan-2-ylamino)hexyl]carbamate
CID 107256457
tert-butyl N-[4-methyl-2-(5-methylhexan-2-ylamino)pentyl]carbamate
CID 107252263
tert-butyl N-[4-[[(1R)-1-(furan-2-yl)ethyl]amino]-5-methoxypentyl]carbamate
CID 103390562
tert-butyl N-[4-(2,3-dimethylbutylamino)-5-methoxypentyl]carbamate
CID 103390094
tert-butyl N-[4-(hex-5-yn-3-ylamino)-5-methoxypentyl]carbamate
CID 103390984
tert-butyl N-[3-(5-methylhexan-2-ylamino)propyl]carbamate
CID 81344613
tert-butyl N-[4-[(2-hydroxy-2-methylpropyl)amino]-5-methoxypentyl]carbamate
CID 103390147

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate?
The IUPAC name of tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate (CID 103387404) is tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate?
The canonical SMILES for tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate is COCC(CCCNC(=O)OC(C)(C)C)NC(C)CCC(C)C.
What is the InChIKey of tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate?
The InChIKey is VUHVHNWSFCPYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O3/c1-14(2)10-11-15(3)20-16(13-22-7)9-8-12-19-17(21)23-18(4,5)6/h14-16,20H,8-13H2,1-7H3,(H,19,21).
What are the key properties of tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate?
tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate has a molecular weight of 330.51 g/mol, XLogP of 3.72, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-methoxy-4-(5-methylhexan-2-ylamino)pentyl]carbamate is sourced from PubChem (CID 103387404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).