N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine

C16H34N2 — CID 79716038

IUPACN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)N(CC)CC1CCNCC1
InChIInChI=1S/C16H34N2/c1-5-14(4)12-16(6-2)18(7-3)13-15-8-10-17-11-9-15/h14-17H,5-13H2,1-4H3
InChIKeyVXSXATQZMNTMNN-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds8

About N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine

N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine (PubChem CID 79716038) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
PubChem CID79716038
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC NameN-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine
SMILESCCC(C)CC(CC)N(CC)CC1CCNCC1
InChIInChI=1S/C16H34N2/c1-5-14(4)12-16(6-2)18(7-3)13-15-8-10-17-11-9-15/h14-17H,5-13H2,1-4H3
InChIKeyVXSXATQZMNTMNN-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-5-methyl-N-(pyrrolidin-2-ylmethyl)heptan-3-amine
CID 106604476
N-(piperidin-4-ylmethyl)-N-propan-2-ylpentan-3-amine
CID 79715856
1-cyclopentyl-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 79715112
2-[ethyl(piperidin-4-ylmethyl)amino]propanenitrile
CID 79717369
N-(2-methoxyethyl)-N-(piperidin-4-ylmethyl)pentan-3-amine
CID 55002492
2-ethyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylbutan-1-amine
CID 79716141
N,N-diethyl-1-piperidin-4-ylpropan-2-amine
CID 105451801
1-(4-bromothiophen-2-yl)-N-ethyl-N-(piperidin-4-ylmethyl)ethanamine
CID 107355045
N-ethyl-N-(piperidin-4-ylmethyl)-1-(2,4,6-trimethylphenyl)ethanamine
CID 79697768
N-ethyl-2-methyl-N-(piperidin-4-ylmethyl)propanamide
CID 79721124
2-methyl-N-(piperidin-4-ylmethyl)-N-propan-2-ylprop-2-en-1-amine
CID 79713998
N-(piperidin-4-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 16768057

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine?
The IUPAC name of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine (CID 79716038) is N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine.
What is the SMILES notation for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine?
The canonical SMILES for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine is CCC(C)CC(CC)N(CC)CC1CCNCC1.
What is the InChIKey of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine?
The InChIKey is VXSXATQZMNTMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-14(4)12-16(6-2)18(7-3)13-15-8-10-17-11-9-15/h14-17H,5-13H2,1-4H3.
What are the key properties of N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine?
N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(piperidin-4-ylmethyl)heptan-3-amine is sourced from PubChem (CID 79716038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).