[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate

C13H26N4O2 — CID 67674153

IUPAC[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
SMILES[H]/N=C(\N)N1CCCC(C(OC(=O)NC)C(C)(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)10(19-12(18)16-4)9-6-5-7-17(8-9)11(14)15/h9-10H,5-8H2,1-4H3,(H3,14,15)(H,16,18)
InChIKeyRWQGKDHFQOVQBR-UHFFFAOYSA-N
MW270.38 g/mol
LogP1.36
Rot. Bonds2

About [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate

[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate (PubChem CID 67674153) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate.

Molecular Properties

Compound Name[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
PubChem CID67674153
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate
SMILES[H]/N=C(\N)N1CCCC(C(OC(=O)NC)C(C)(C)C)C1
InChIInChI=1S/C13H26N4O2/c1-13(2,3)10(19-12(18)16-4)9-6-5-7-17(8-9)11(14)15/h9-10H,5-8H2,1-4H3,(H3,14,15)(H,16,18)
InChIKeyRWQGKDHFQOVQBR-UHFFFAOYSA-N
XLogP1.36
TPSA91.44 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-(1-carbamimidoylpiperidin-3-yl)-3-sulfanylpropanoic acid
CID 10214532
tert-butyl N-[(3S)-1-carbamimidoylpyrrolidin-3-yl]carbamate
CID 95187739
(3S)-3-methoxypiperidine-1-carboximidamide
CID 129383624
3-methoxypiperidine-1-carboximidamide
CID 19089238
N-[[(3S)-1-carbamimidoylpiperidin-3-yl]methyl]acetamide
CID 139656045
tert-butyl 3-(2-amino-1-methoxy-2-oxoethyl)piperidine-1-carboxylate
CID 57161982
2-methylpyrrolidine-1-carboximidamide
CID 60974504
N-(2-amino-1-cyclohexyl-2-iminoethyl)-3-methylpiperidine-1-carboxamide
CID 79163065
methyl 1-carbamimidoylazetidine-3-carboxylate
CID 178200661
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoylpiperidine-3-carboxamide
CID 11796459
4-(2,2-dimethylpropanoyl)piperazine-1-carboximidamide
CID 66718761

Frequently Asked Questions

What is the IUPAC name of [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The IUPAC name of [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate (CID 67674153) is [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate.
What is the SMILES notation for [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The canonical SMILES for [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate is [H]/N=C(\N)N1CCCC(C(OC(=O)NC)C(C)(C)C)C1.
What is the InChIKey of [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
The InChIKey is RWQGKDHFQOVQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-13(2,3)10(19-12(18)16-4)9-6-5-7-17(8-9)11(14)15/h9-10H,5-8H2,1-4H3,(H3,14,15)(H,16,18).
What are the key properties of [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate?
[1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate has a molecular weight of 270.38 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-carbamimidoylpiperidin-3-yl)-2,2-dimethylpropyl] N-methylcarbamate is sourced from PubChem (CID 67674153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).