N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine

C14H30N2 — CID 79715887

IUPACN-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
SMILESCCCCCCN(CC)CC1CCNCC1
InChIInChI=1S/C14H30N2/c1-3-5-6-7-12-16(4-2)13-14-8-10-15-11-9-14/h14-15H,3-13H2,1-2H3
InChIKeyJRNICELONMJLMW-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.89
Rot. Bonds8

About N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine

N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine (PubChem CID 79715887) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
PubChem CID79715887
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine
SMILESCCCCCCN(CC)CC1CCNCC1
InChIInChI=1S/C14H30N2/c1-3-5-6-7-12-16(4-2)13-14-8-10-15-11-9-14/h14-15H,3-13H2,1-2H3
InChIKeyJRNICELONMJLMW-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-(piperidin-4-ylmethyl)pentan-1-amine
CID 94810456
5-[ethyl(piperidin-4-ylmethyl)amino]pentan-1-ol
CID 79716629
N-ethyl-4-methylsulfanyl-N-(piperidin-4-ylmethyl)butan-1-amine
CID 103089513
N-ethyl-4-methoxy-N-(piperidin-4-ylmethyl)butan-1-amine
CID 104648606
N,N-diethyl-4-piperidin-4-ylbutan-1-amine
CID 10081918
N,N-diethyl-4-[ethyl(piperidin-4-ylmethyl)amino]butanamide
CID 79717040
N-(cyclopropylmethyl)-N-propylpentan-1-amine
CID 89142496
N-(cyclopropylmethyl)-N-ethyl-2-piperidin-4-yloxyethanamine
CID 63956036
6-[cyclopropylmethyl(ethyl)amino]hexan-1-ol
CID 103737958
2-[2-[ethyl(piperidin-4-ylmethyl)amino]ethoxy]ethanol
CID 79717125
4-hexadecylpiperidine
CID 54096875
N-(piperidin-4-ylmethyl)-N-propylnonan-2-amine
CID 79715186

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine?
The IUPAC name of N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine (CID 79715887) is N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine.
What is the SMILES notation for N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine?
The canonical SMILES for N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine is CCCCCCN(CC)CC1CCNCC1.
What is the InChIKey of N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine?
The InChIKey is JRNICELONMJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-3-5-6-7-12-16(4-2)13-14-8-10-15-11-9-14/h14-15H,3-13H2,1-2H3.
What are the key properties of N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine?
N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine has a molecular weight of 226.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(piperidin-4-ylmethyl)hexan-1-amine is sourced from PubChem (CID 79715887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).