N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide

C12H24N4O — CID 79155482

IUPACN-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCN(C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C12H24N4O/c1-10(2)16(9-6-11(13)14)12(17)15-7-4-3-5-8-15/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeyWUUZKCBTWCPWSS-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.63
Rot. Bonds4

About N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide

N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide (PubChem CID 79155482) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
PubChem CID79155482
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
SMILES[H]/N=C(\N)CCN(C(=O)N1CCCCC1)C(C)C
InChIInChI=1S/C12H24N4O/c1-10(2)16(9-6-11(13)14)12(17)15-7-4-3-5-8-15/h10H,3-9H2,1-2H3,(H3,13,14)
InChIKeyWUUZKCBTWCPWSS-UHFFFAOYSA-N
XLogP1.63
TPSA73.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.63
H-Bond Donors ≤ 52
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

N-(3-amino-3-iminopropyl)-3-methyl-N-propan-2-ylpiperidine-1-carboxamide
CID 79162504
N-(3-amino-3-sulfanylidenepropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79155454
N-(3-amino-3-iminopropyl)-N-(2-methylpropyl)azepane-1-carboxamide
CID 79151692
N-(3-aminopropyl)-N-propan-2-ylpiperidine-1-carboxamide
CID 79156152
N-(2-amino-2-sulfanylideneethyl)-N-propan-2-ylazepane-1-carboxamide
CID 79152199
1-(3-amino-3-iminopropyl)-3-ethyl-3-methyl-1-propan-2-ylurea
CID 79162505
3-[propan-2-yl(3-pyrrolidin-1-ylpropyl)amino]propanimidamide
CID 54996674
N-(4-amino-4-iminobutan-2-yl)piperidine-1-carboxamide
CID 79156203
(2S)-2-aminopropanoic acid;N-ethyl-N-propan-2-ylpyrrolidine-1-carboxamide
CID 174538703
3-[cyclobutylmethyl(propan-2-yl)amino]propanimidamide
CID 65457368
N-(2-aminoethyl)-N-pentan-3-ylazepane-1-carboxamide
CID 79151862
N-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 79155525

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide (CID 79155482) is N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide is [H]/N=C(\N)CCN(C(=O)N1CCCCC1)C(C)C.
What is the InChIKey of N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is WUUZKCBTWCPWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-10(2)16(9-6-11(13)14)12(17)15-7-4-3-5-8-15/h10H,3-9H2,1-2H3,(H3,13,14).
What are the key properties of N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide?
N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 240.35 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-iminopropyl)-N-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 79155482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).