2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate

C14H28N4O — CID 143250970

IUPAC2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate
SMILES[H]/N=C(\OCCN1CCCCC1)N(C)/C(=N/[H])C(C)CC
InChIInChI=1S/C14H28N4O/c1-4-12(2)13(15)17(3)14(16)19-11-10-18-8-6-5-7-9-18/h12,15-16H,4-11H2,1-3H3/b15-13+,16-14-
InChIKeyQJANYNKTQSFTOF-ZNOBWPMYSA-N
MW268.40 g/mol
LogP2.38
Rot. Bonds5

About 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate

2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate (PubChem CID 143250970) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate
PubChem CID143250970
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate
SMILES[H]/N=C(\OCCN1CCCCC1)N(C)/C(=N/[H])C(C)CC
InChIInChI=1S/C14H28N4O/c1-4-12(2)13(15)17(3)14(16)19-11-10-18-8-6-5-7-9-18/h12,15-16H,4-11H2,1-3H3/b15-13+,16-14-
InChIKeyQJANYNKTQSFTOF-ZNOBWPMYSA-N
XLogP2.38
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-1-morpholin-4-ylpropan-1-imine
CID 57640524
Propanimidoyl 4-methylpiperidine-1-carboximidate
CID 58993170
1-Morpholin-4-ylbutan-1-imine
CID 62047580
2-Methyl-1-morpholin-4-ylbutan-1-imine
CID 63718006
2-Methoxy-1-(4-methylpiperidin-1-yl)ethanimine
CID 138749658
1-[(2S,6R)-2,6-di(propan-2-yl)morpholin-4-yl]ethanimine
CID 157924692
N-ethyl-N-[(2R)-1-methoxypropan-2-yl]piperidine-4-carboximidamide
CID 166705160
1-[(2S,6R)-2-ethyl-6-propan-2-ylmorpholin-4-yl]ethanimine
CID 166718405
2,3-Dimethyl-1-morpholin-4-ylbutan-1-imine
CID 170076396
1-(1-Methoxypropan-2-yl)piperidin-2-imine
CID 61522857
1-(2-Methoxyethyl)piperidin-2-imine
CID 61523235
1-(2-Ethoxyethyl)piperidin-2-imine
CID 61523428

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate?
The IUPAC name of 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate (CID 143250970) is 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate.
What is the SMILES notation for 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate?
The canonical SMILES for 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate is [H]/N=C(\OCCN1CCCCC1)N(C)/C(=N/[H])C(C)CC.
What is the InChIKey of 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate?
The InChIKey is QJANYNKTQSFTOF-ZNOBWPMYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-4-12(2)13(15)17(3)14(16)19-11-10-18-8-6-5-7-9-18/h12,15-16H,4-11H2,1-3H3/b15-13+,16-14-.
What are the key properties of 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate?
2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate has a molecular weight of 268.40 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl N-methyl-N-(2-methylbutanimidoyl)carbamimidate is sourced from PubChem (CID 143250970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).