N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde

C16H34N2O — CID 143297365

IUPACN,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde
SMILESCCCCCC1CCC(C=O)NC1.CNC(C)(C)C
InChIInChI=1S/C11H21NO.C5H13N/c1-2-3-4-5-10-6-7-11(9-13)12-8-10;1-5(2,3)6-4/h9-12H,2-8H2,1H3;6H,1-4H3
InChIKeyHARSZIOTQBPMEK-UHFFFAOYSA-N
MW270.46 g/mol
LogP3.14
Rot. Bonds5

About N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde

N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde (PubChem CID 143297365) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde.

Molecular Properties

Compound NameN,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde
PubChem CID143297365
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC NameN,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde
SMILESCCCCCC1CCC(C=O)NC1.CNC(C)(C)C
InChIInChI=1S/C11H21NO.C5H13N/c1-2-3-4-5-10-6-7-11(9-13)12-8-10;1-5(2,3)6-4/h9-12H,2-8H2,1H3;6H,1-4H3
InChIKeyHARSZIOTQBPMEK-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hexane;pentylcyclopropane
CID 159592467
1,4-dihexylcyclohexane
CID 22947938
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
octadecane;pentadecylcyclopropane
CID 173301851
tetradecane;undecylcyclopropane
CID 173215670
tert-butyl formate;hexylcyclopropane
CID 174391270
N-(4-pentylcyclohexyl)formamide
CID 118946669
4-[(4-pentylcyclohexyl)methyl]cyclohexane-1-carbaldehyde
CID 20633982
azane;hexylcyclopropane
CID 135322230
(4-pentylcyclohexyl) formate
CID 57022006
N-methyl-4-(4-pentylcyclohexyl)aniline;prop-2-enal
CID 142282274
1-(4-butylcyclohexyl)-N-methylmethanamine
CID 43163686

Frequently Asked Questions

What is the IUPAC name of N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde?
The IUPAC name of N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde (CID 143297365) is N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde.
What is the SMILES notation for N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde?
The canonical SMILES for N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde is CCCCCC1CCC(C=O)NC1.CNC(C)(C)C.
What is the InChIKey of N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde?
The InChIKey is HARSZIOTQBPMEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO.C5H13N/c1-2-3-4-5-10-6-7-11(9-13)12-8-10;1-5(2,3)6-4/h9-12H,2-8H2,1H3;6H,1-4H3.
What are the key properties of N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde?
N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde has a molecular weight of 270.46 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylpropan-2-amine;5-pentylpiperidine-2-carbaldehyde is sourced from PubChem (CID 143297365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).