ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine

C18H42N2 — CID 143305969

IUPACethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine
SMILESCC.CCC1CCN(C)CC1.CCCCC(CC)NC
InChIInChI=1S/C8H17N.C8H19N.C2H6/c1-3-8-4-6-9(2)7-5-8;1-4-6-7-8(5-2)9-3;1-2/h8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAAYUXGADQZRJGD-UHFFFAOYSA-N
MW286.55 g/mol
LogP4.94
Rot. Bonds6

About ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine

ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine (PubChem CID 143305969) has the molecular formula C18H42N2 and a molecular weight of 286.55 g/mol. Its IUPAC name is ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine.

Molecular Properties

Compound Nameethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine
PubChem CID143305969
Molecular FormulaC18H42N2
Molecular Weight286.55 g/mol
Exact Mass286.33
IUPAC Nameethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine
SMILESCC.CCC1CCN(C)CC1.CCCCC(CC)NC
InChIInChI=1S/C8H17N.C8H19N.C2H6/c1-3-8-4-6-9(2)7-5-8;1-4-6-7-8(5-2)9-3;1-2/h8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;1-2H3
InChIKeyAAYUXGADQZRJGD-UHFFFAOYSA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.55
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-octan-4-ylpiperidin-4-amine
CID 103776296
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
1-methyl-N-octan-4-ylazepan-4-amine
CID 113340340
N-methyloctadecan-3-amine
CID 150460863
6-ethyl-1,4-dimethyl-1,4-diazocane
CID 174327849
4-ethyl-1-methylpiperidine;formonitrile
CID 175849532
4-ethyl-1-methylpiperidine;methoxymethane
CID 90698783
N-methyldecan-3-amine
CID 60996977
N-[(1-methylpyrrolidin-3-yl)methyl]hexan-3-amine
CID 103096871
N-heptan-3-yl-1,2-dimethylpiperidin-4-amine
CID 81342937
1-N,2-N-dimethyl-1-N-(1-methylpiperidin-4-yl)pentane-1,2-diamine
CID 62044225
6-butoxy-N-methylhexan-3-amine
CID 61483969

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine?
The IUPAC name of ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine (CID 143305969) is ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine.
What is the SMILES notation for ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine?
The canonical SMILES for ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine is CC.CCC1CCN(C)CC1.CCCCC(CC)NC.
What is the InChIKey of ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine?
The InChIKey is AAYUXGADQZRJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N.C8H19N.C2H6/c1-3-8-4-6-9(2)7-5-8;1-4-6-7-8(5-2)9-3;1-2/h8H,3-7H2,1-2H3;8-9H,4-7H2,1-3H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine?
ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine has a molecular weight of 286.55 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-methylpiperidine;N-methylheptan-3-amine is sourced from PubChem (CID 143305969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).