N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide

C10H20N4O — CID 79155299

IUPACN-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CNC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-8(9(11)12)7-13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyYZFYHQDIWULAJK-UHFFFAOYSA-N
MW212.30 g/mol
LogP0.75
Rot. Bonds3

About N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide

N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide (PubChem CID 79155299) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide
PubChem CID79155299
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide
SMILES[H]/N=C(\N)C(C)CNC(=O)N1CCCCC1
InChIInChI=1S/C10H20N4O/c1-8(9(11)12)7-13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15)
InChIKeyYZFYHQDIWULAJK-UHFFFAOYSA-N
XLogP0.75
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
N-(2-amino-3-hydroxybutyl)piperidine-1-carboxamide
CID 79154941
N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
CID 79156203
N-[2-(dimethylamino)propyl]piperidine-1-carboxamide
CID 115581577
N-(2-methylsulfanylpropyl)piperidine-1-carboxamide
CID 115760436
N-[2-methyl-3-(methylamino)propyl]azepane-1-carboxamide
CID 115302691
N-[2-(methylamino)propyl]pyrrolidine-1-carboxamide
CID 103512851
N-(2-amino-2-cyclopropylethyl)piperidine-1-carboxamide
CID 79154956
N-(2,3,3-trimethylbutyl)pyrrolidine-1-carboxamide
CID 115629639
N-(2-methylsulfinylpropyl)pyrrolidine-1-carboxamide
CID 115763587
4-methyl-5-(piperidine-1-carbonylamino)pentanoic acid
CID 82682716

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide (CID 79155299) is N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide is [H]/N=C(\N)C(C)CNC(=O)N1CCCCC1.
What is the InChIKey of N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is YZFYHQDIWULAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(9(11)12)7-13-10(15)14-5-3-2-4-6-14/h8H,2-7H2,1H3,(H3,11,12)(H,13,15).
What are the key properties of N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide?
N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 212.30 g/mol, XLogP of 0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-imino-2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 79155299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).