N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane

C32H68N2 — CID 159896552

IUPACN-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane
SMILESC.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCCCC1
InChIInChI=1S/C31H64N2.CH4/c1-3-5-7-9-11-13-15-17-19-22-26-32(30-31-33-28-24-21-25-29-33)27-23-20-18-16-14-12-10-8-6-4-2;/h3-31H2,1-2H3;1H4
InChIKeyNVKJWLLOMFILLY-UHFFFAOYSA-N
MW480.91 g/mol
LogP10.25
Rot. Bonds25

About N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane

N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane (PubChem CID 159896552) has the molecular formula C32H68N2 and a molecular weight of 480.91 g/mol. Its IUPAC name is N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane.

Molecular Properties

Compound NameN-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane
PubChem CID159896552
Molecular FormulaC32H68N2
Molecular Weight480.91 g/mol
Exact Mass480.54
IUPAC NameN-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane
SMILESC.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCCCC1
InChIInChI=1S/C31H64N2.CH4/c1-3-5-7-9-11-13-15-17-19-22-26-32(30-31-33-28-24-21-25-29-33)27-23-20-18-16-14-12-10-8-6-4-2;/h3-31H2,1-2H3;1H4
InChIKeyNVKJWLLOMFILLY-UHFFFAOYSA-N
XLogP10.25
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.91
LogP ≤ 510.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[4-[2-[2-(azacycloundec-1-yl)ethyl-hexylamino]ethyl]piperazin-1-yl]ethyl]-N-undecyldodecan-1-amine
CID 170754923
(E)-N-decyl-N-(2-pyrrolidin-1-ylethyl)hexadec-9-en-1-amine
CID 71498446
(Z)-N-decyl-N-(2-pyrrolidin-1-ylethyl)hexadec-9-en-1-amine
CID 71241105
N-[8-(2-octylcyclopropyl)octyl]-N-(2-pyrrolidin-1-ylethyl)decan-1-amine
CID 71239544
3-[hexyl(2-pyrrolidin-1-ylethyl)amino]propanoic acid
CID 82329905
1-[2-[decyl-[2-(didecylamino)ethyl]amino]ethyl-(2-piperidin-1-ylethyl)amino]dodecan-2-ol
CID 58527607
ethane;1-nonylpiperidine
CID 177011009
N'-(2-piperazin-1-ylethyl)-N,N'-di(tetradecyl)-N-tridecylethane-1,2-diamine
CID 171538757
1-dodecylazepane
CID 3366129
1-decylpiperidine
CID 4649960
1-octylazonane
CID 20533821
N'-[2-[4-[2-[bis[(Z)-octadec-9-enyl]amino]ethyl]piperazin-1-yl]ethyl]-N,N,N'-tridodecylethane-1,2-diamine
CID 129293430

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane?
The IUPAC name of N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane (CID 159896552) is N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane.
What is the SMILES notation for N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane?
The canonical SMILES for N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane is C.CCCCCCCCCCCCN(CCCCCCCCCCCC)CCN1CCCCC1.
What is the InChIKey of N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane?
The InChIKey is NVKJWLLOMFILLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H64N2.CH4/c1-3-5-7-9-11-13-15-17-19-22-26-32(30-31-33-28-24-21-25-29-33)27-23-20-18-16-14-12-10-8-6-4-2;/h3-31H2,1-2H3;1H4.
What are the key properties of N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane?
N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane has a molecular weight of 480.91 g/mol, XLogP of 10.25, 25 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-(2-piperidin-1-ylethyl)dodecan-1-amine;methane is sourced from PubChem (CID 159896552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).