tert-butyl N-(4-iminopentyl)carbamate

C10H20N2O2 — CID 159038278

IUPACtert-butyl N-(4-iminopentyl)carbamate
SMILES[H]/N=C(\C)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8(11)6-5-7-12-9(13)14-10(2,3)4/h11H,5-7H2,1-4H3,(H,12,13)/b11-8+
InChIKeyJVSNAXGADUKPFT-DHZHZOJOSA-N
MW200.28 g/mol
LogP2.33
Rot. Bonds4

About tert-butyl N-(4-iminopentyl)carbamate

tert-butyl N-(4-iminopentyl)carbamate (PubChem CID 159038278) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-(4-iminopentyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-iminopentyl)carbamate
PubChem CID159038278
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-(4-iminopentyl)carbamate
SMILES[H]/N=C(\C)CCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-8(11)6-5-7-12-9(13)14-10(2,3)4/h11H,5-7H2,1-4H3,(H,12,13)/b11-8+
InChIKeyJVSNAXGADUKPFT-DHZHZOJOSA-N
XLogP2.33
TPSA62.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

acetic acid;tert-butyl N-(5-amino-5-iminopentyl)carbamate
CID 167720461
methyl 5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopentanoate
CID 83488191
tert-butyl N-[4-(ethylamino)-4-oxobutyl]carbamate
CID 11138962
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanimidothioate
CID 12715856
methyl 2-imino-5-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopentanoate
CID 145406631
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
4-[dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azaniumyl]butyl-dimethyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]azanium
CID 89125082
4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]butanoic acid
CID 171702826
tert-butyl N-[5-(methylamino)pentyl]carbamate
CID 87263201
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-iminopentyl)carbamate?
The IUPAC name of tert-butyl N-(4-iminopentyl)carbamate (CID 159038278) is tert-butyl N-(4-iminopentyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-iminopentyl)carbamate?
The canonical SMILES for tert-butyl N-(4-iminopentyl)carbamate is [H]/N=C(\C)CCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(4-iminopentyl)carbamate?
The InChIKey is JVSNAXGADUKPFT-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-8(11)6-5-7-12-9(13)14-10(2,3)4/h11H,5-7H2,1-4H3,(H,12,13)/b11-8+.
What are the key properties of tert-butyl N-(4-iminopentyl)carbamate?
tert-butyl N-(4-iminopentyl)carbamate has a molecular weight of 200.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-iminopentyl)carbamate is sourced from PubChem (CID 159038278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).